首页 > 最新文献

Journal of Nano- and Electronic Physics最新文献

英文 中文
Growth of Gold Nanostructures on the MoS2 Surface Modified with Polyvinylpyrrolidone 聚乙烯吡咯烷酮修饰二硫化钼表面上金纳米结构的生长
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01018
T. Borodinova, V. Styopkin, A. A. Vasko, V. Cherepanov, V. Kravets
{"title":"Growth of Gold Nanostructures on the MoS2 Surface Modified with Polyvinylpyrrolidone","authors":"T. Borodinova, V. Styopkin, A. A. Vasko, V. Cherepanov, V. Kravets","doi":"10.21272/JNEP.13(1).01018","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01018","url":null,"abstract":"","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"39 1","pages":"01018-1-01018-4"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79402033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and Characterization of Multiwalled Carbon Nanotubes (MWCNTs) Dispersed ZnS Based Photocatalytic Activity 多壁碳纳米管(MWCNTs)分散ZnS基光催化活性的合成与表征
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01027
Rajesh Sahu, S. Jain, B. Tripathi
Zinc Sulfide (ZnS) based photocatalytic activity has been focused in solar hydrogen production and water treatment process because to their very strong redox reaction. Due to wide visible light range, ZnS becomes a promising semiconductor in formation of photocatalysts. The bandgap energies ( E g ) of all prepared samples ZnS NCs and MWCNTs/ZnS nanocomposites were evaluated and Methylene Blue (MB) degradation study occurring of ZnS NCs and MWCNTs/ZnS nanocomposites were evaluated under visible light us-ing UV-visible spectroscopy. The author found that removal rate of MB is greater than 95 percentage in the presence of MWCNTs/ZnS composites photocatalysts after 50 min. Crystalline grain size and structure of photocatalyst were characterized by X-ray Diffraction (XRD) spectroscopy. The enhancement of photo-catalytic activity can be associated by many factors like a suitable band gap in visible region, crystalline structure of nanocomposites and particle size in nanometer (nm) of the MWCNTs/ZnS nanocomposites. The suitable photocatalytic reaction and mechanisms of MB degradation also included in this article.
{"title":"Synthesis and Characterization of Multiwalled Carbon Nanotubes (MWCNTs) Dispersed ZnS Based Photocatalytic Activity","authors":"Rajesh Sahu, S. Jain, B. Tripathi","doi":"10.21272/JNEP.13(1).01027","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01027","url":null,"abstract":"Zinc Sulfide (ZnS) based photocatalytic activity has been focused in solar hydrogen production and water treatment process because to their very strong redox reaction. Due to wide visible light range, ZnS becomes a promising semiconductor in formation of photocatalysts. The bandgap energies ( E g ) of all prepared samples ZnS NCs and MWCNTs/ZnS nanocomposites were evaluated and Methylene Blue (MB) degradation study occurring of ZnS NCs and MWCNTs/ZnS nanocomposites were evaluated under visible light us-ing UV-visible spectroscopy. The author found that removal rate of MB is greater than 95 percentage in the presence of MWCNTs/ZnS composites photocatalysts after 50 min. Crystalline grain size and structure of photocatalyst were characterized by X-ray Diffraction (XRD) spectroscopy. The enhancement of photo-catalytic activity can be associated by many factors like a suitable band gap in visible region, crystalline structure of nanocomposites and particle size in nanometer (nm) of the MWCNTs/ZnS nanocomposites. The suitable photocatalytic reaction and mechanisms of MB degradation also included in this article.","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85235562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Green Synthesis of Copper Oxide Nanoparticles from Catharanthus Roseus Plant Leaf Extract and Its Investigation 花楸花植物叶片提取物绿色合成氧化铜纳米颗粒及其研究
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01014
K. Dayana, R. Jothimani, S. Durai
{"title":"Green Synthesis of Copper Oxide Nanoparticles from Catharanthus Roseus Plant Leaf Extract and Its Investigation","authors":"K. Dayana, R. Jothimani, S. Durai","doi":"10.21272/JNEP.13(1).01014","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01014","url":null,"abstract":"","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"6 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88677935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Magnetic Properties of Ni Thin Films Deposited on to Polystyrene Nanospheres 聚苯乙烯纳米球表面Ni薄膜的磁性能研究
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01028
Y. Kumar, J. Tripathi, A. Sharma
{"title":"Magnetic Properties of Ni Thin Films Deposited on to Polystyrene Nanospheres","authors":"Y. Kumar, J. Tripathi, A. Sharma","doi":"10.21272/JNEP.13(1).01028","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01028","url":null,"abstract":"","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"93 1","pages":"01028-1-01028-4"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90608405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical Approach Based ZnS-ZnO Nanocomposite Synthesis and Assessment of their Structural, Morphological and Photocatalytic Properties 基于化学方法的ZnS-ZnO纳米复合材料的合成及其结构、形态和光催化性能评价
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01025
Parita Basnet, D. Samanta, S. Chatterjee
This work describes a comparative assessment between zinc oxide (ZnO) nanoparticles (NP), zinc sulfide (ZnS) NP and ZnS-ZnO nanocomposite (NC). A chemical non-aqueous method was chosen for materials synthesis. From XRD spectra, the crystalline phases and phase purity of the samples were confirmed. The average crystallite sizes were calculated as 69 nm, 5 nm and 10 nm for ZnO NP, ZnS NP and ZnS-ZnO NC, respectively, indicating a relatively pronounced growth and coarsening processes in ZnO NP. The lowering of band gap energy was verified through optical absorption spectra of ZnS-ZnO NC. Morphological investigation revealed that ZnO consisted of plate-like structures, ZnS comprised of agglomerated spheres while ZnS-ZnO NC exhibited both these structures. EDX and XPS spectra of ZnS-ZnO NC confirmed the presence of Zn, S and O in the NC. The photocatalytic degradation of cationic dyes were observed to be the highest by ZnS-ZnO NC compared to its individual components, ZnO and ZnS.
本文描述了氧化锌纳米颗粒(NP)、硫化锌纳米颗粒(ZnS)和锌氧化锌纳米复合材料(NC)之间的比较评估。采用化学非水法合成材料。通过XRD谱分析,确定了样品的晶相和相纯度。ZnO NP、ZnS NP和ZnS-ZnO NC的平均晶粒尺寸分别为69 nm、5 nm和10 nm,表明ZnO NP的生长和粗化过程相对明显。通过ZnS-ZnO NC的光学吸收光谱验证了带隙能量的降低。形貌研究表明,ZnO为片状结构,ZnS为球状结构,而ZnS-ZnO NC具有这两种结构。zno - zno NC的EDX和XPS光谱证实了NC中存在Zn、S和O。ZnS-ZnO NC对阳离子染料的光催化降解效果优于其单独组分ZnO和ZnS。
{"title":"Chemical Approach Based ZnS-ZnO Nanocomposite Synthesis and Assessment of their Structural, Morphological and Photocatalytic Properties","authors":"Parita Basnet, D. Samanta, S. Chatterjee","doi":"10.21272/JNEP.13(1).01025","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01025","url":null,"abstract":"This work describes a comparative assessment between zinc oxide (ZnO) nanoparticles (NP), zinc sulfide (ZnS) NP and ZnS-ZnO nanocomposite (NC). A chemical non-aqueous method was chosen for materials synthesis. From XRD spectra, the crystalline phases and phase purity of the samples were confirmed. The average crystallite sizes were calculated as 69 nm, 5 nm and 10 nm for ZnO NP, ZnS NP and ZnS-ZnO NC, respectively, indicating a relatively pronounced growth and coarsening processes in ZnO NP. The lowering of band gap energy was verified through optical absorption spectra of ZnS-ZnO NC. Morphological investigation revealed that ZnO consisted of plate-like structures, ZnS comprised of agglomerated spheres while ZnS-ZnO NC exhibited both these structures. EDX and XPS spectra of ZnS-ZnO NC confirmed the presence of Zn, S and O in the NC. The photocatalytic degradation of cationic dyes were observed to be the highest by ZnS-ZnO NC compared to its individual components, ZnO and ZnS.","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"445 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77851710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Effect of Trench Isolation on the Self-heating Phenomenon in Advanced Radio Frequency SiGe Heterojunction Bipolar Transistor 沟槽隔离对先进射频SiGe异质结双极晶体管自热现象的影响
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01021
N. Kherief, S. Latreche, M. Lakhdara, A. Boulgheb, C. Gontrand
{"title":"Effect of Trench Isolation on the Self-heating Phenomenon in Advanced Radio Frequency SiGe Heterojunction Bipolar Transistor","authors":"N. Kherief, S. Latreche, M. Lakhdara, A. Boulgheb, C. Gontrand","doi":"10.21272/JNEP.13(1).01021","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01021","url":null,"abstract":"","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"33 1","pages":"01021-1-01021-5"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86971872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of Electrical and Thermoelectric Properties of ZnO/rGO Composites Prepared by Conventional Solid-state Reaction Method 传统固相反应法制备ZnO/rGO复合材料的电学和热电性能研究
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01026
S. Mangavati, A. Rao, Dheeraj Devadiga, M. Selvakumar, Monika Saxena, G. Okram
{"title":"Investigation of Electrical and Thermoelectric Properties of ZnO/rGO Composites Prepared by Conventional Solid-state Reaction Method","authors":"S. Mangavati, A. Rao, Dheeraj Devadiga, M. Selvakumar, Monika Saxena, G. Okram","doi":"10.21272/JNEP.13(1).01026","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01026","url":null,"abstract":"","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"13 1","pages":"01026-1-01026-4"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80430770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
A Theoretical Survey on the Potential Performance of a Perovskite Solar Cell Based on an Ultrathin Organic-Inorganic Electron Transporting Layer 基于超薄有机-无机电子传输层的钙钛矿太阳能电池电位性能的理论研究
Pub Date : 2021-01-01 DOI: 10.21272/JNEP.13(1).01007
Bita Farhadi, F. Zabihi, Y. Zhou, A. Liu
An ultrathin perovskite solar cell with 29.33 % theoretical power conversion efficiency (PCE) is designed for flexible applications. The perovskite layer is sandwiched between two multijunctions, i.e. poly(3hexylthiophene) (P3HT), nickel oxide (NiO), and copper (I) thiocyanate (CuSCN) as the hole transporting element, from one side, and zinc oxide (ZnO), tin (IV) oxide (SnO2) and phenyl-C61 butyric acid methyl ester (PCBM) as the electron transporting compartment, from the other side. This study uses a professional software package to accurately simulate a series of highly efficient perovskite-based solar cell structures that use both organic and inorganic materials. Calculations are simultaneously run with SCAPS (version. 3.3.07). The materials system for the electron transporting multijunction, bandgap of the perovskite layer, defection density, temperature of operating conditions, and concentration of charge doping are manipulated as the tuning parameters. An excellent fill factor (84.76 %), a potentially low entire thickness (⁓ 1 m), and compatible nature for both organic and inorganic materials make this layout auspicious for a feasible and versatile high efficiency, but low-cost electronic devices. The constituent materials are selected based on the thickness and photoconversion efficiency. In order to assess the further potentials of materials system, we replaced CuSCN with PTAA (Polytriarylamine) and observed an increase in the theoretical efficiency, and we investigated the effect of varying the doping concentration in the PTAA layer. To simulate this structure, both the electrical and physical properties of the materials are considered, and the results are compared with those of previous works. These results should be of significant interest to experimentalists in the field.
设计了一种具有29.33%理论功率转换效率(PCE)的超薄钙钛矿太阳能电池,用于灵活应用。钙钛矿层夹在两个多结之间,即聚(3己基噻吩)(P3HT)、氧化镍(NiO)和硫氰酸铜(CuSCN)作为空穴传递元素,从一侧到另一侧氧化锌(ZnO)、氧化锡(SnO2)和苯基- c61丁酸甲酯(PCBM)作为电子传递室。本研究使用专业软件包精确模拟了一系列高效钙钛矿基太阳能电池结构,这些结构使用有机和无机材料。计算与SCAPS(版本)同时运行。3.3.07)。电子输运多结的材料体系、钙钛矿层的带隙、缺陷密度、操作条件温度和电荷掺杂浓度作为调谐参数。出色的填充系数(84.76%),潜在的低整体厚度(⁓1m),以及有机和无机材料的兼容性使这种布局成为可行和通用的高效率,但低成本的电子设备。根据厚度和光转换效率来选择组成材料。为了评估材料体系的进一步潜力,我们用PTAA (Polytriarylamine)代替CuSCN,观察到理论效率的提高,并研究了PTAA层中掺杂浓度的变化对理论效率的影响。为了模拟这种结构,同时考虑了材料的电学和物理性质,并将结果与前人的研究结果进行了比较。这些结果应该引起该领域的实验员的极大兴趣。
{"title":"A Theoretical Survey on the Potential Performance of a Perovskite Solar Cell Based on an Ultrathin Organic-Inorganic Electron Transporting Layer","authors":"Bita Farhadi, F. Zabihi, Y. Zhou, A. Liu","doi":"10.21272/JNEP.13(1).01007","DOIUrl":"https://doi.org/10.21272/JNEP.13(1).01007","url":null,"abstract":"An ultrathin perovskite solar cell with 29.33 % theoretical power conversion efficiency (PCE) is designed for flexible applications. The perovskite layer is sandwiched between two multijunctions, i.e. poly(3hexylthiophene) (P3HT), nickel oxide (NiO), and copper (I) thiocyanate (CuSCN) as the hole transporting element, from one side, and zinc oxide (ZnO), tin (IV) oxide (SnO2) and phenyl-C61 butyric acid methyl ester (PCBM) as the electron transporting compartment, from the other side. This study uses a professional software package to accurately simulate a series of highly efficient perovskite-based solar cell structures that use both organic and inorganic materials. Calculations are simultaneously run with SCAPS (version. 3.3.07). The materials system for the electron transporting multijunction, bandgap of the perovskite layer, defection density, temperature of operating conditions, and concentration of charge doping are manipulated as the tuning parameters. An excellent fill factor (84.76 %), a potentially low entire thickness (⁓ 1 m), and compatible nature for both organic and inorganic materials make this layout auspicious for a feasible and versatile high efficiency, but low-cost electronic devices. The constituent materials are selected based on the thickness and photoconversion efficiency. In order to assess the further potentials of materials system, we replaced CuSCN with PTAA (Polytriarylamine) and observed an increase in the theoretical efficiency, and we investigated the effect of varying the doping concentration in the PTAA layer. To simulate this structure, both the electrical and physical properties of the materials are considered, and the results are compared with those of previous works. These results should be of significant interest to experimentalists in the field.","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"19 1","pages":"01007-1-01007-6"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87368414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 11
Angular Ellipsometry of Porous Silicon Surface Layers 多孔硅表面层的角椭偏性
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(3).03024
L. Poperenko, V. Ukraine, S. Rozouvan, I. Yurgelevych, P. Lishchuk
{"title":"Angular Ellipsometry of Porous Silicon Surface Layers","authors":"L. Poperenko, V. Ukraine, S. Rozouvan, I. Yurgelevych, P. Lishchuk","doi":"10.21272/jnep.12(3).03024","DOIUrl":"https://doi.org/10.21272/jnep.12(3).03024","url":null,"abstract":"","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"5 1","pages":"03024-1-03024-4"},"PeriodicalIF":0.0,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74391264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure 稀土单氮化物ScN和YN在压力下的第一性原理研究
Pub Date : 2020-01-01 DOI: 10.21272/jnep.12(5).05009
R. Yagoub, A. Hadjfatah, S. Louhibi-Fasla, S. Daoud, S. Bahlouli, A. Haichour, C. Zegadi
We report the study of high-pressure phases of YN and ScN compounds, using a recent version of the full potential linear muffin-tin orbital (FPLMTO) method, which enables an accurate treatment of the interstitial regions. The local density approximation (LDA) was used for the exchange and correlation energy density functional. Calculations are given for lattice parameters, bulk modulus and its first derivatives in different structures. Under compression, we found that ScN transforms from NaCl-type structure (B1) to Beta-Sn-type (A5) at a pressure of around 301.3 GPa, with a direct energy gap at Γ of about 0.108 eV. This transition B1 to A5 takes place at a lower pressure than the well-known transition NaCl-type structure (B1) to CsCl-type structure (B2) (found here to be 412 GPa). Our calculations also show that YN transforms from B1 to B2 at a pressure of around 198.5 GPa.
我们报道了YN和ScN化合物高压相的研究,使用最新版本的全电位线性松芬锡轨道(FPLMTO)方法,可以精确处理间隙区域。交换和相关能量密度泛函采用局部密度近似(LDA)。给出了不同结构中晶格参数、体积模量及其一阶导数的计算。压缩条件下,ScN在301.3 GPa左右的压力下由nacl型结构(B1)转变为β - sn型结构(A5),其直接能隙Γ约为0.108 eV。这种从B1到A5的转变发生在比众所周知的从nacl型结构(B1)到ccl型结构(B2)(这里发现是412 GPa)更低的压力下。我们的计算还表明,YN在198.5 GPa左右的压力下从B1转变为B2。
{"title":"First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure","authors":"R. Yagoub, A. Hadjfatah, S. Louhibi-Fasla, S. Daoud, S. Bahlouli, A. Haichour, C. Zegadi","doi":"10.21272/jnep.12(5).05009","DOIUrl":"https://doi.org/10.21272/jnep.12(5).05009","url":null,"abstract":"We report the study of high-pressure phases of YN and ScN compounds, using a recent version of the full potential linear muffin-tin orbital (FPLMTO) method, which enables an accurate treatment of the interstitial regions. The local density approximation (LDA) was used for the exchange and correlation energy density functional. Calculations are given for lattice parameters, bulk modulus and its first derivatives in different structures. Under compression, we found that ScN transforms from NaCl-type structure (B1) to Beta-Sn-type (A5) at a pressure of around 301.3 GPa, with a direct energy gap at Γ of about 0.108 eV. This transition B1 to A5 takes place at a lower pressure than the well-known transition NaCl-type structure (B1) to CsCl-type structure (B2) (found here to be 412 GPa). Our calculations also show that YN transforms from B1 to B2 at a pressure of around 198.5 GPa.","PeriodicalId":16514,"journal":{"name":"Journal of Nano- and Electronic Physics","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75341398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
期刊
Journal of Nano- and Electronic Physics
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1