We demonstrate a close connection between the quantum critical point (QCP) and superconducting upper critical field in the Ni-doped heavy-fermion superconductor . Temperature variations of electrical resistivity exhibit a crossover between the non-Fermi liquid and the Fermi liquid states, whose boundary for , regarded as the QCP, coincides with , while decreases to zero with increasing Ni concentrations up to 25%. Furthermore, the coefficient of the term in estimated in the Fermi liquid region shows the diverging behavior with decreasing the magnetic field toward . These experimental results suggest that the emergence of the QCP is always accompanied by the breakdown of the superconducting state by in Ni-doped .
{"title":"Quantum criticality linked to the suppressed superconducting upper critical field in Ni-doped CeCoIn5","authors":"Azumi Yashiro, Rahmanto, Kaketo Inami, Kohei Suzuki, Kaede Inoh, Teppei Takahashi, Ryosuke Koizumi, Yohei Kono, Shunichiro Kittaka, Yusei Shimizu, Fuminori Honda, Dai Aoki, Kenichi Tenya, Makoto Yokoyama","doi":"10.1103/physrevmaterials.8.l081801","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.l081801","url":null,"abstract":"We demonstrate a close connection between the quantum critical point (QCP) and superconducting upper critical field <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>H</mi><mrow><mi>c</mi><mn>2</mn></mrow></msub></math> in the Ni-doped heavy-fermion superconductor <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>CeCoIn</mi><mn>5</mn></msub></math>. Temperature variations of electrical resistivity <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>ρ</mi><mo>(</mo><mi>T</mi><mo>)</mo></mrow></math> exhibit a crossover between the non-Fermi liquid and the Fermi liquid states, whose boundary for <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>T</mi><mo>→</mo><mn>0</mn></mrow></math>, regarded as the QCP, coincides with <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>H</mi><mrow><mi>c</mi><mn>2</mn></mrow></msub></math>, while <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>H</mi><mrow><mi>c</mi><mn>2</mn></mrow></msub></math> decreases to zero with increasing Ni concentrations up to 25%. Furthermore, the <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>A</mi></math> coefficient of the <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msup><mi>T</mi><mn>2</mn></msup></math> term in <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>ρ</mi><mo>(</mo><mi>T</mi><mo>)</mo></mrow></math> estimated in the Fermi liquid region shows the diverging behavior with decreasing the magnetic field <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>H</mi></math> toward <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>H</mi><mrow><mi>c</mi><mn>2</mn></mrow></msub></math>. These experimental results suggest that the emergence of the QCP is always accompanied by the breakdown of the superconducting state by <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>H</mi></math> in Ni-doped <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>CeCoIn</mi><mn>5</mn></msub></math>.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"43 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-08DOI: 10.1103/physrevmaterials.8.084403
E. Nocerino, J. Sugiyama, O. K. Forslund, I. Umegaki, S. Kobayashi, K. Yoshimura, Y. Sassa, M. Månsson
In this study, we investigate the influence of Cr-Cr distances on the magnetic properties of triangular lattice antiferromagnets through the lens of the recently synthesized Cr compounds , , and . Our comprehensive analysis integrates existing magnetic structure data and new insights from muon spin rotation measurements, revealing a striking mutual influence between strongly correlated electrons and structural degrees of freedom in systems possessing very different magnetic properties despite having the same crystal symmetry. In particular, we delineate how Cr-Cr distances specifically dictate the magnetic behaviors of the triangular lattice antiferromagnets , , and . By crafting phase diagrams based on these distances, we establish a clear correlation between the structural parameters and the magnetic ground states of these materials together with a wide variety of trivalent Cr triangular lattice layered magnets. Our analysis uncovers a transition range for in-plane and out-of-plane Cr-Cr distances that demarcates distinct magnetic behaviors, highlighting the nuanced role of lattice geometry in the spin-lattice interaction and electron correlation dynamics.
{"title":"Cr-Cr distance and magnetism in the phase diagram of triangular lattice antiferromagnets: A systematic comparative study","authors":"E. Nocerino, J. Sugiyama, O. K. Forslund, I. Umegaki, S. Kobayashi, K. Yoshimura, Y. Sassa, M. Månsson","doi":"10.1103/physrevmaterials.8.084403","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.084403","url":null,"abstract":"In this study, we investigate the influence of Cr-Cr distances on the magnetic properties of triangular lattice antiferromagnets through the lens of the recently synthesized Cr compounds <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>LiCrSe</mi><mn>2</mn></msub></math>, <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>LiCrTe</mi><mn>2</mn></msub></math>, and <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>NaCrTe</mi><mn>2</mn></msub></math>. Our comprehensive analysis integrates existing magnetic structure data and new insights from muon spin rotation measurements, revealing a striking mutual influence between strongly correlated electrons and structural degrees of freedom in systems possessing very different magnetic properties despite having the same crystal symmetry. In particular, we delineate how Cr-Cr distances specifically dictate the magnetic behaviors of the triangular lattice antiferromagnets <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>LiCrSe</mi><mn>2</mn></msub></math>, <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>LiCrTe</mi><mn>2</mn></msub></math>, and <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>NaCrTe</mi><mn>2</mn></msub></math>. By crafting phase diagrams based on these distances, we establish a clear correlation between the structural parameters and the magnetic ground states of these materials together with a wide variety of trivalent Cr triangular lattice layered magnets. Our analysis uncovers a transition range for in-plane and out-of-plane Cr-Cr distances that demarcates distinct magnetic behaviors, highlighting the nuanced role of lattice geometry in the spin-lattice interaction and electron correlation dynamics.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"79 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-08DOI: 10.1103/physrevmaterials.8.085601
Debashish Mukherji
Thermal transport coefficient is an important property that often dictates broad applications of a polymeric material, while at the same time its computation remains challenging. In particular, classical simulations overestimate the measurements of in comparison to those of the experiments and thus hinder their meaningful comparison. This is even when very careful simulations are performed using the most accurate empirical potentials. A key reason for such a discrepancy is because polymers have quantum-mechanical, nuclear degrees of freedom whose contribution to the heat balance is nontrivial. In this work, two semianalytical approaches are considered to accurately compute by using the exact vibrational density of states . The first approach is based within the framework of the minimum thermal conductivity model, while the second uses computed quantum heat capacity to scale . The computed of a set of commodity polymers compares quantitatively with .
{"title":"Computing the thermal transport coefficient of neutral amorphous polymers using exact vibrational density of states: Comparison with experiments","authors":"Debashish Mukherji","doi":"10.1103/physrevmaterials.8.085601","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.085601","url":null,"abstract":"Thermal transport coefficient <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>κ</mi></math> is an important property that often dictates broad applications of a polymeric material, while at the same time its computation remains challenging. In particular, classical simulations overestimate the measurements of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>κ</mi></math> in comparison to those of the experiments and thus hinder their meaningful comparison. This is even when very careful simulations are performed using the most accurate empirical potentials. A key reason for such a discrepancy is because polymers have quantum-mechanical, nuclear degrees of freedom whose contribution to the heat balance is nontrivial. In this work, two semianalytical approaches are considered to accurately compute <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>κ</mi></math> by using the exact vibrational density of states <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>g</mi><mo>(</mo><mi>ν</mi><mo>)</mo></mrow></math>. The first approach is based within the framework of the minimum thermal conductivity model, while the second uses computed quantum heat capacity to scale <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>κ</mi></math>. The computed <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>κ</mi></math> of a set of commodity polymers compares quantitatively with <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msup><mi>κ</mi><mi>expt</mi></msup></math>.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"22 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-07DOI: 10.1103/physrevmaterials.8.084402
Hahoon Lee, Hwanhui Yun, Bongju Kim, Kookrin Char
Ferroelectric field-effect transistors offer a potential for its important role in integrated memory and computing systems, and research on them is actively ongoing. In this study, we investigated the ferroelectric properties of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant="normal">Z</mi><msub><mi mathvariant="normal">r</mi><mrow><mn>0.7</mn></mrow></msub><mi mathvariant="normal">T</mi><msub><mi mathvariant="normal">i</mi><mrow><mn>0.3</mn></mrow></msub></mrow><mo>)</mo></mrow><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></math>, which is lattice matched with the La-doped high mobility perovskite oxide semiconductor <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi mathvariant="normal">B</mi><msub><mi mathvariant="normal">a</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant="normal">L</mi><msub><mi mathvariant="normal">a</mi><mi>x</mi></msub><mi>Sn</mi><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></math>. Growth of the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi>r</mi></math> phase in epitaxial <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant="normal">Z</mi><msub><mi mathvariant="normal">r</mi><mrow><mn>0.7</mn></mrow></msub><mi mathvariant="normal">T</mi><msub><mi mathvariant="normal">i</mi><mrow><mn>0.3</mn></mrow></msub></mrow><mo>)</mo></mrow><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></math> on <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi mathvariant="normal">B</mi><msub><mi mathvariant="normal">a</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant="normal">L</mi><msub><mi mathvariant="normal">a</mi><mi>x</mi></msub><mi>Sn</mi><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></math> was confirmed and its basic ferroelectric and dielectric properties were studied by polarization-electric and capacitance-voltage measurement. We then studied the field effect of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant="normal">Z</mi><msub><mi mathvariant="normal">r</mi><mrow><mn>0.7</mn></mrow></msub><mi mathvariant="normal">T</mi><msub><mi mathvariant="normal">i</mi><mrow><mn>0.3</mn></mrow></msub></mrow><mo>)</mo></mrow><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></math> on the electrical properties of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi mathvariant="normal">B</mi><msub><mi mathvariant="normal">a</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant="normal">L</mi><msub><mi mathvariant="normal">a</mi><mi>x</mi></msub><mi>Sn</mi><msub><mi mathvariant="normal">O</mi><mn>3</mn></msub></mrow></math> as we vary the La doping concentration. We find that the field effect of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant="normal">Z</mi><msub><mi mathvari
铁电场效应晶体管有望在集成存储器和计算系统中发挥重要作用，相关研究正在积极进行中。在本研究中，我们研究了与掺 La 的高迁移率包晶氧化物半导体 Ba1-xLaxSnO3 晶格匹配的 Pb(Zr0.7Ti0.3)O3 的铁电特性。在 Ba1-xLaxSnO3 上外延 Pb（Zr0.7Ti0.3）O3 的 r 相生长得到了证实，并通过极化-电学和电容-电压测量研究了其基本的铁电和介电性质。然后，我们研究了随着 La 掺杂浓度的变化，Pb(Zr0.7Ti0.3)O3 对 Ba1-xLaxSnO3 电性能的场效应。我们发现，Pb(Zr0.7Ti0.3)O3 对 Ba1-xLaxSnO3 的场效应取决于 La 掺杂浓度，由其铁电特性和介电特性之间的竞争决定。在高 La 掺杂率的情况下，场效应主要由铁电切换主导，而在低 La 掺杂率的情况下，场效应主要由介电响应主导，因为耗尽层中的去极化场会削弱铁电效应。至于磁滞的宽度和方向，也是由逆时针方向的铁电响应和顺时针方向的介电响应之间的竞争所控制的，这是由于界面附近的捕获电荷造成的。这项研究通过了解铁电材料和低载流子密度半导体之间复杂的相互作用，为优化场效应提供了见解。
{"title":"Ferroelectric switching and field effect of Pb(Zr0.7Ti0.3)O3 on Ba1−xLaxSnO3","authors":"Hahoon Lee, Hwanhui Yun, Bongju Kim, Kookrin Char","doi":"10.1103/physrevmaterials.8.084402","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.084402","url":null,"abstract":"Ferroelectric field-effect transistors offer a potential for its important role in integrated memory and computing systems, and research on them is actively ongoing. In this study, we investigated the ferroelectric properties of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant=\"normal\">Z</mi><msub><mi mathvariant=\"normal\">r</mi><mrow><mn>0.7</mn></mrow></msub><mi mathvariant=\"normal\">T</mi><msub><mi mathvariant=\"normal\">i</mi><mrow><mn>0.3</mn></mrow></msub></mrow><mo>)</mo></mrow><msub><mi mathvariant=\"normal\">O</mi><mn>3</mn></msub></mrow></math>, which is lattice matched with the La-doped high mobility perovskite oxide semiconductor <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">B</mi><msub><mi mathvariant=\"normal\">a</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant=\"normal\">L</mi><msub><mi mathvariant=\"normal\">a</mi><mi>x</mi></msub><mi>Sn</mi><msub><mi mathvariant=\"normal\">O</mi><mn>3</mn></msub></mrow></math>. Growth of the <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>r</mi></math> phase in epitaxial <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant=\"normal\">Z</mi><msub><mi mathvariant=\"normal\">r</mi><mrow><mn>0.7</mn></mrow></msub><mi mathvariant=\"normal\">T</mi><msub><mi mathvariant=\"normal\">i</mi><mrow><mn>0.3</mn></mrow></msub></mrow><mo>)</mo></mrow><msub><mi mathvariant=\"normal\">O</mi><mn>3</mn></msub></mrow></math> on <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">B</mi><msub><mi mathvariant=\"normal\">a</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant=\"normal\">L</mi><msub><mi mathvariant=\"normal\">a</mi><mi>x</mi></msub><mi>Sn</mi><msub><mi mathvariant=\"normal\">O</mi><mn>3</mn></msub></mrow></math> was confirmed and its basic ferroelectric and dielectric properties were studied by polarization-electric and capacitance-voltage measurement. We then studied the field effect of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant=\"normal\">Z</mi><msub><mi mathvariant=\"normal\">r</mi><mrow><mn>0.7</mn></mrow></msub><mi mathvariant=\"normal\">T</mi><msub><mi mathvariant=\"normal\">i</mi><mrow><mn>0.3</mn></mrow></msub></mrow><mo>)</mo></mrow><msub><mi mathvariant=\"normal\">O</mi><mn>3</mn></msub></mrow></math> on the electrical properties of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">B</mi><msub><mi mathvariant=\"normal\">a</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant=\"normal\">L</mi><msub><mi mathvariant=\"normal\">a</mi><mi>x</mi></msub><mi>Sn</mi><msub><mi mathvariant=\"normal\">O</mi><mn>3</mn></msub></mrow></math> as we vary the La doping concentration. We find that the field effect of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Pb</mi><mrow><mo>(</mo><mrow><mi mathvariant=\"normal\">Z</mi><msub><mi mathvari","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"22 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-07DOI: 10.1103/physrevmaterials.8.080301
J.-S. Kang, Seungho Seong, Eunsook Lee, Y. S. Kwon, Kyoo Kim, Junwon Kim, Heejung Kim, B. I. Min
Understanding the origin of distinct charge density wave (CDW) instabilities in layered <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>R</mi><msub><mi>Te</mi><mi>n</mi></msub></mrow></math> (<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3) compounds (<math xmlns="http://www.w3.org/1998/Math/MathML"><mi>R</mi></math>, rare earth element) has been an important issue. In this research update, we have investigated the electronic structures of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub><mi>PrTe</mi><mi>n</mi></msub></math> (<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3) and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub><mi>ErTe</mi><mn>3</mn></msub></math> layered CDW compounds employing angle-resolved photoemission spectroscopy (ARPES) and soft x-ray absorption spectroscopy (XAS). The trivalent valency of <math xmlns="http://www.w3.org/1998/Math/MathML"><msup><mi>R</mi><mrow><mn>3</mn><mo>+</mo></mrow></msup></math> ions is confirmed for <math xmlns="http://www.w3.org/1998/Math/MathML"><msub><mi>PrTe</mi><mi>n</mi></msub></math> (<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3) and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub><mi>ErTe</mi><mn>3</mn></msub></math>, supporting that <math xmlns="http://www.w3.org/1998/Math/MathML"><mi>R</mi></math>-Te slabs serve as charge reservoirs and that the CDW instability occurs in the partially filled Te sheets. Both <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>R</mi><mspace width="4pt"></mspace><mn>4</mn><mi>d</mi><mo>→</mo><mn>4</mn><mi>f</mi></mrow></math> resonant photoemission spectroscopy and photon-energy map measurements provide evidence that <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>R</mi><mspace width="4pt"></mspace><mn>4</mn><mi>f</mi></mrow></math> electrons do not contribute directly to the CDW formation but that the indirect contribution from Pr <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mn>4</mn><mi>f</mi></mrow></math> electrons through the Pr <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mn>4</mn><mi>f</mi><mo>−</mo><mi>Te</mi></mrow><mo> </mo><mrow><mn>5</mn><mi>p</mi></mrow></math> hybridization is feasible in <math xmlns="http://www.w3.org/1998/Math/MathML"><msub><mi>PrTe</mi><mi>n</mi></msub></math> (<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3). Circular and linear dichroism ARPES measurements indicate that the chirality of the Te <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mn>5</mn><mi>p</mi></mrow></math> orbitals certainly plays a role in the CDW formation of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>R</mi><msub><mi>Te</mi><mn>3</mn></msub></mrow></math> (<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mi>R</mi><mo>=</mo><mi>Pr</mi></m
{"title":"Distinct charge density wave instabilities in PrTen (n=2, 3) and ErTe3 investigated via ARPES and XAS","authors":"J.-S. Kang, Seungho Seong, Eunsook Lee, Y. S. Kwon, Kyoo Kim, Junwon Kim, Heejung Kim, B. I. Min","doi":"10.1103/physrevmaterials.8.080301","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.080301","url":null,"abstract":"Understanding the origin of distinct charge density wave (CDW) instabilities in layered <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>R</mi><msub><mi>Te</mi><mi>n</mi></msub></mrow></math> (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3) compounds (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>R</mi></math>, rare earth element) has been an important issue. In this research update, we have investigated the electronic structures of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>PrTe</mi><mi>n</mi></msub></math> (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3) and <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>ErTe</mi><mn>3</mn></msub></math> layered CDW compounds employing angle-resolved photoemission spectroscopy (ARPES) and soft x-ray absorption spectroscopy (XAS). The trivalent valency of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msup><mi>R</mi><mrow><mn>3</mn><mo>+</mo></mrow></msup></math> ions is confirmed for <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>PrTe</mi><mi>n</mi></msub></math> (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3) and <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>ErTe</mi><mn>3</mn></msub></math>, supporting that <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>R</mi></math>-Te slabs serve as charge reservoirs and that the CDW instability occurs in the partially filled Te sheets. Both <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>R</mi><mspace width=\"4pt\"></mspace><mn>4</mn><mi>d</mi><mo>→</mo><mn>4</mn><mi>f</mi></mrow></math> resonant photoemission spectroscopy and photon-energy map measurements provide evidence that <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>R</mi><mspace width=\"4pt\"></mspace><mn>4</mn><mi>f</mi></mrow></math> electrons do not contribute directly to the CDW formation but that the indirect contribution from Pr <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>4</mn><mi>f</mi></mrow></math> electrons through the Pr <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>4</mn><mi>f</mi><mo>−</mo><mi>Te</mi></mrow><mo> </mo><mrow><mn>5</mn><mi>p</mi></mrow></math> hybridization is feasible in <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>PrTe</mi><mi>n</mi></msub></math> (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>n</mi><mo>=</mo><mn>2</mn></mrow></math>, 3). Circular and linear dichroism ARPES measurements indicate that the chirality of the Te <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>5</mn><mi>p</mi></mrow></math> orbitals certainly plays a role in the CDW formation of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>R</mi><msub><mi>Te</mi><mn>3</mn></msub></mrow></math> (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>R</mi><mo>=</mo><mi>Pr</mi></m","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"43 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A copper boride phase found on Cu(110) exhibits dimensional crossover from 1D to 2D structures. The discovered surface phase, , is composed of alternating two-atom and three-atom rows that are separated by trenches. The narrower rows behave as a 1D template for atomic boron chains, and the wider rows provide a new dimensional degree of freedom that facilitates the generation of 2D clusters with chirality. The phase is nonperiodic in the chain direction and exhibits intermediate boron coverage, between that of the quasiperiodic 1D and periodic 2D phases of copper boride on Cu(110), demonstrating a unique feature of phase transitions at the surface.
{"title":"Dimensional crossover and chirality of boron adsorbates on copper (110) surfaces","authors":"Yuki Tsujikawa, Takeru Nakashima, Xiaoni Zhang, Kazuki Yamaguchi, Masafumi Horio, Masahiro Haze, Yukio Hasegawa, Fumio Komori, Takahiro Kondo, Yasunobu Ando, Iwao Matsuda","doi":"10.1103/physrevmaterials.8.084003","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.084003","url":null,"abstract":"A copper boride phase found on Cu(110) exhibits dimensional crossover from 1D to 2D structures. The discovered surface phase, <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>7</mn><mo>×</mo><mo>‘</mo><mn>1</mn><mtext>’</mtext><mtext>−</mtext><mi mathvariant=\"normal\">B</mi><mo>/</mo><mi>Cu</mi><mo>(</mo><mn>110</mn><mo>)</mo></mrow></math>, is composed of alternating two-atom and three-atom rows that are separated by trenches. The narrower rows behave as a 1D template for atomic boron chains, and the wider rows provide a new dimensional degree of freedom that facilitates the generation of 2D clusters with chirality. The <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>7</mn><mo>×</mo><mo>‘</mo><mn>1</mn><mtext>’</mtext></mrow></math> phase is nonperiodic in the chain direction and exhibits intermediate boron coverage, between that of the quasiperiodic 1D and periodic 2D phases of copper boride on Cu(110), demonstrating a unique feature of phase transitions at the surface.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"33 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-07DOI: 10.1103/physrevmaterials.8.084001
Alexandre F. Fonseca, Luiz Felipe C. Pereira
Research on the physical properties of materials at the nanoscale is crucial for the development of breakthrough nanotechnologies. One of the key properties to consider is the ability to conduct heat, i.e., its thermal conductivity. Graphene is a remarkable nanostructure with exceptional physical properties, including one of the highest thermal conductivities (TCs) ever measured. Graphene nanoribbons (GNRs) share most fundamental properties with graphene, with the added benefit of having a controllable electronic bandgap. One method to achieve such control is by twisting the GNR, which can tailor its electronic properties, as well as change their TCs. Here, we revisit the dependence of the TC of twisted GNRs (TGNRs) on the number of applied turns to the GNR by calculating more precise and mathematically well defined geometric parameters related to the TGNR shape, namely, its twist and writhe. We show that the dependence of the TC on twist is not a simple function of the number of turns initially applied to a straight GNR. In fact, we show that the TC of TGNRs requires at least two parameters to be properly described. Our conclusions are supported by atomistic molecular dynamics simulations to obtain the TC of suspended TGNRs prepared under different values of initially applied turns and different sizes of their suspended part. Among possible choices of parameter pairs, we show that TC can be appropriately described by the initial number of turns and the initial twist density of the TGNRs.
{"title":"Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons","authors":"Alexandre F. Fonseca, Luiz Felipe C. Pereira","doi":"10.1103/physrevmaterials.8.084001","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.084001","url":null,"abstract":"Research on the physical properties of materials at the nanoscale is crucial for the development of breakthrough nanotechnologies. One of the key properties to consider is the ability to conduct heat, i.e., its thermal conductivity. Graphene is a remarkable nanostructure with exceptional physical properties, including one of the highest thermal conductivities (TCs) ever measured. Graphene nanoribbons (GNRs) share most fundamental properties with graphene, with the added benefit of having a controllable electronic bandgap. One method to achieve such control is by twisting the GNR, which can tailor its electronic properties, as well as change their TCs. Here, we revisit the dependence of the TC of twisted GNRs (TGNRs) on the number of applied turns to the GNR by calculating more precise and mathematically well defined geometric parameters related to the TGNR shape, namely, its <i>twist</i> and <i>writhe</i>. We show that the dependence of the TC on <i>twist</i> is not a simple function of the number of turns initially applied to a straight GNR. In fact, we show that the TC of TGNRs requires at least two parameters to be properly described. Our conclusions are supported by atomistic molecular dynamics simulations to obtain the TC of suspended TGNRs prepared under different values of initially applied turns and different sizes of their suspended part. Among possible choices of parameter pairs, we show that TC can be appropriately described by the initial number of turns and the initial twist density of the TGNRs.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"74 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Doping of two-dimensional layered semiconducting materials is becoming pivotal in tailoring their electronic properties, enabling the development of advanced electronic and optoelectronic devices, where the selection of dopant is important. Here, we demonstrate the potential of substitutional vanadium (V) doping in monolayer molybdenum disulfide () lattice in different extents leading to tunable electronic and optoelectronic properties. We found that low-level V doping (∼1 ) induces -type characteristics in otherwise -type monolayer , whereas medium-level doping (∼5 ) leads to an ambipolar semiconductor. Degenerately doped (∼9 ) facilitates a transition from semiconducting towards metallic (metal-like) with reduced electrical resistivity (∼4.5 of to ), low activation energy for transport (∼11 meV), and electric field independent drain current in field effect transistor–based transfer characteristics. A detailed temperature- and power-dependent photoluminescence study along with density functional theory–based calculations in support unravels the emergence of an excitonic transition at ∼850 nm with its intensity dependent on the amount of vanadium. This study shows the potential of V doping in for generating multifunctional two-dimensional materials for next generation electronics, optoelectronics, and interconnects with systematic control over its electronic structure in a wide range.
二维层状半导体材料的掺杂正在成为调整其电子特性的关键，从而使先进电子和光电设备的开发成为可能，而掺杂剂的选择在其中起着重要作用。在这里，我们展示了在单层二硫化钼（MoS2）晶格中不同程度地掺入替代钒（V）的潜力，从而获得可调的电子和光电特性。我们发现，低浓度掺钒（1%∼1%）会在原本为 n 型的单层 MoS2 中诱导出 p 型特性，而中浓度掺钒（5%∼5%）则会导致产生双极性半导体。去极掺杂的 MoS2（∼9 at.%）促进了从半导体向金属（类金属）的过渡，电阻率降低（MoS2 的电阻率从 4.5 Ωm 降低到 2.2×10-5Ωm），传输活化能降低（∼11 meV），在基于场效应晶体管的传输特性中，漏极电流与电场无关。详细的温度和功率依赖性光致发光研究以及基于密度泛函理论的计算揭示了在∼850 nm处出现的激子跃迁，其强度取决于钒的含量。这项研究显示了在 MoS2 中掺入钒的潜力，通过对其电子结构进行大范围的系统控制，可为下一代电子、光电和互连器件生成多功能二维材料。
{"title":"Tuning the electronic structure of monolayer MoS2 towards metal like via vanadium doping","authors":"Dipak Maity, Rahul Sharma, Krishna Rani Sahoo, Ashique Lal, Raul Arenal, Tharangattu N. Narayanan","doi":"10.1103/physrevmaterials.8.084002","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.084002","url":null,"abstract":"Doping of two-dimensional layered semiconducting materials is becoming pivotal in tailoring their electronic properties, enabling the development of advanced electronic and optoelectronic devices, where the selection of dopant is important. Here, we demonstrate the potential of substitutional vanadium (V) doping in monolayer molybdenum disulfide (<math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Mo</mi><msub><mi mathvariant=\"normal\">S</mi><mn>2</mn></msub></mrow></math>) lattice in different extents leading to tunable electronic and optoelectronic properties. We found that low-level V doping (∼1 <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mtext>at.</mtext><mspace width=\"0.16em\"></mspace><mo>%</mo></mrow></math>) induces <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>p</mi></math>-type characteristics in otherwise <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>n</mi></math>-type monolayer <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Mo</mi><msub><mi mathvariant=\"normal\">S</mi><mn>2</mn></msub></mrow></math>, whereas medium-level doping (∼5 <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mtext>at.</mtext><mspace width=\"0.16em\"></mspace><mo>%</mo></mrow></math>) leads to an ambipolar semiconductor. Degenerately doped <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Mo</mi><msub><mi mathvariant=\"normal\">S</mi><mn>2</mn></msub></mrow></math> (∼9 <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mtext>at.</mtext><mspace width=\"0.16em\"></mspace><mo>%</mo></mrow></math>) facilitates a transition from semiconducting towards metallic (metal-like) with reduced electrical resistivity (∼4.5 <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">Ω</mi><mspace width=\"0.16em\"></mspace><mtext>m</mtext></mrow></math> of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Mo</mi><msub><mi mathvariant=\"normal\">S</mi><mn>2</mn></msub></mrow></math> to <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mo>∼</mo><mn>2.2</mn><mo>×</mo><msup><mrow><mn>10</mn></mrow><mrow><mo>−</mo><mn>5</mn></mrow></msup><mi mathvariant=\"normal\">Ω</mi><mspace width=\"0.16em\"></mspace><mtext>m</mtext></mrow></math>), low activation energy for transport (∼11 meV), and electric field independent drain current in field effect transistor–based transfer characteristics. A detailed temperature- and power-dependent photoluminescence study along with density functional theory–based calculations in support unravels the emergence of an excitonic transition at ∼850 nm with its intensity dependent on the amount of vanadium. This study shows the potential of V doping in <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Mo</mi><msub><mi mathvariant=\"normal\">S</mi><mn>2</mn></msub></mrow></math> for generating multifunctional two-dimensional materials for next generation electronics, optoelectronics, and interconnects with systematic control over its electronic structure in a wide range.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"59 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Thermal expansion of Co-containing invar alloys of GX1Ni29-Co17 and stainless invar was investigated from the viewpoint of local structure by analyzing temperature-dependent extended x-ray absorption fine-structure (EXAFS) spectra combined with the computational simulations based on the path-integral effective classical potential (PIECP) method. For detailed comparative discussion, FeNi invar alloys of 36invar, 42invar, and 45invar were also examined. It is found by EXAFS that in stainless invar, Co exhibits a noticeable invar effect, while the invar effect on Co in GX1Ni29-Co17 is negligibly small. The PIECP simulations provide qualitative agreement with this finding, exemplifying that the Co magnetization is more effectively suppressed in stainless invar with a temperature rise, because of a smaller lattice constant and shorter corresponding interatomic distances. The present study clearly demonstrates the importance of the local structural point of view to understand the detailed low thermal expansion mechanism, in which microscopic local thermal expansion often meaningfully differs from macroscopic lattice thermal expansion.
通过分析随温度变化的扩展 X 射线吸收精细结构（EXAFS）光谱，并结合基于路径积分有效经典势（PIECP）方法的计算模拟，从局部结构的角度研究了 GX1Ni29-Co17 Fe54Co17Ni29 的含 Co 英卡合金和不锈钢英卡 Fe39Co50Cr9Ni2 的热膨胀。为了进行详细的比较讨论，还研究了 36invar、42invar 和 45invar 的铁镍英卡合金。通过 EXAFS 发现，在不锈金刚石中，钴表现出明显的金刚石效应，而在 GX1Ni29-Co17 中，钴的金刚石效应很小，可以忽略不计。PIECP 模拟与这一发现在本质上是一致的，说明随着温度的升高，不锈钒中的钴磁化会受到更有效的抑制，因为晶格常数更小，相应的原子间距离更短。本研究清楚地表明了从局部结构角度理解详细的低热膨胀机制的重要性，其中微观的局部热膨胀往往与宏观的晶格热膨胀存在有意义的差异。
{"title":"Local thermal expansion of Co-containing invar alloys","authors":"Toshihiko Yokoyama, Hiromichi T. Fujii, Shingo Matsumura, Naoki Sakaguchi, Naoya Kurahashi, Naoyuki Maejima","doi":"10.1103/physrevmaterials.8.083603","DOIUrl":"https://doi.org/10.1103/physrevmaterials.8.083603","url":null,"abstract":"Thermal expansion of Co-containing invar alloys of GX1Ni29-Co17 <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mi>Fe</mi><mn>54</mn></msub><msub><mi>Co</mi><mn>17</mn></msub><msub><mi>Ni</mi><mn>29</mn></msub></mrow></math> and stainless invar <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mi>Fe</mi><mn>39</mn></msub><msub><mi>Co</mi><mn>50</mn></msub><msub><mi>Cr</mi><mn>9</mn></msub><msub><mi>Ni</mi><mn>2</mn></msub></mrow></math> was investigated from the viewpoint of local structure by analyzing temperature-dependent extended x-ray absorption fine-structure (EXAFS) spectra combined with the computational simulations based on the path-integral effective classical potential (PIECP) method. For detailed comparative discussion, FeNi invar alloys of 36invar, 42invar, and 45invar were also examined. It is found by EXAFS that in stainless invar, Co exhibits a noticeable invar effect, while the invar effect on Co in GX1Ni29-Co17 is negligibly small. The PIECP simulations provide qualitative agreement with this finding, exemplifying that the Co magnetization is more effectively suppressed in stainless invar with a temperature rise, because of a smaller lattice constant and shorter corresponding interatomic distances. The present study clearly demonstrates the importance of the local structural point of view to understand the detailed low thermal expansion mechanism, in which microscopic local thermal expansion often meaningfully differs from macroscopic lattice thermal expansion.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":"24 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141941922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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