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Possible Unconventional s-Wave Pairing with Point-Node–Like Gap Structure in UTe2 碲化镉(UTe2)中可能存在的非常规 s 波配对与点节点状间隙结构
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-30 DOI: 10.7566/jpsj.93.063701
Shingo Haruna, Takuji Nomura, Hirono Kaneyasu
We explore the pairing state and gap structure of UTe2 using a six-orbital model which we call the fdp model. Our model accurately reproduces the quasi-two-dimensional Fermi surfaces, agreeing with recent de Haas–van Alphen oscillation measurements and ((0, pm pi ,0)) antiferromagnetic spin fluctuations observed through neutron scattering. We incorporate on-site Coulomb repulsion for f electrons and solve the linearized Eliashberg equation within the third-order perturbation theory to investigate the superconducting symmetry in UTe2. An s-wave state featuring a highly anisotropic superconducting gap structure and a point-node–like behavior of the specific heat at low temperatures is identified as the most probable state.
我们使用一个六轨道模型来探索UTe2的配对态和间隙结构,我们称之为f-d-p模型。我们的模型精确地再现了准二维费米面,与最近的德哈斯-范阿尔芬振荡测量和通过中子散射观测到的((0, pm pi ,0))反铁磁自旋波动相吻合。我们将现场库仑斥力纳入 f 电子,并在三阶扰动理论中求解线性化的埃利亚斯伯格方程,以研究UTe2 的超导对称性。我们发现最有可能的状态是具有高度各向异性超导间隙结构和低温比热的点结状行为的 s 波态。
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引用次数: 0
Large Cyclotron Effective Masses in Antiferromagnet SmTi2Al20 Compared with Conventional Masses in Ferromagnet SmNi2Cd20 and Antiferromagnet SmPd2Cd20 反铁磁体 SmTi2Al20 中的大回旋加速器有效质量与铁磁体 SmNi2Cd20 和反铁磁体 SmPd2Cd20 中的常规质量相比
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-26 DOI: 10.7566/jpsj.93.054710
Md Asif Afzal, Yoshichika Ōnuki, Dai Aoki, Hisatomo Harima, Ryuji Higashinaka, Yuji Aoki, Tatsuma D. Matsuda
We grew high-quality single crystals of a ferromagnet SmNi2Cd20, an antiferromagnet SmPd2Cd20, and an antiferromagnet SmTi2Al20 with the cubic cage structure by the self-flux method and carried out the de Haas–van Alphen experiment to detect the large cyclotron effective masses of the main Fermi surfaces. This is because these compounds are reported to possess large electronic specific heat coefficients of 100–200 mJ/(K2·mol). We have succeeded in detecting the main Fermi surfaces. The corresponding cyclotron mass of a so-called valence-fluctuating compound SmTi2Al20 is surprisingly large, revealing 26 m0 (m0: rest mass of an electron). In SmTi2Al20, no Curie–Weiss term is found in the magnetic susceptibility, and the −log T dependence of the electrical resistivity is observed at low temperatures. On the other hand, the conventional masses of 2.1 m0 are obtained in SmNi2Cd20 and SmPd2Cd20, following the Curie–Weiss law in the magnetic susceptibility.
我们利用自流式方法生长了具有立方笼型结构的铁磁体 SmNi2Cd20、反铁磁体 SmPd2Cd20 和反铁磁体 SmTi2Al20 的高质量单晶体,并进行了 de Haas-van Alphen 实验,以探测主费米面的大回旋有效质量。这是因为据报道这些化合物具有 100-200 mJ/(K2-mol)的大电子比热系数。我们成功地探测到了主费米面。所谓的价波动化合物 SmTi2Al20 的相应回旋质量出奇地大,达到了 26 m0(m0:电子的静止质量)。在 SmTi2Al20 中,磁感应强度中没有发现居里-韦斯项,而且在低温下可以观察到电阻率与对数 T 的关系。另一方面,在 SmNi2Cd20 和 SmPd2Cd20 中,根据磁感应强度中的居里-韦斯定律,得到了 2.1 m0 的常规质量。
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引用次数: 0
Vanishing of Resistivity upon Freezing of Vortex Liquid in Clean Superconductors 洁净超导体中涡流液体冻结时电阻率的消失
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-26 DOI: 10.7566/jpsj.93.054712
Naratip Nunchot, Ryusuke Ikeda
Superconducting transition, defined as vanishing of the resistivity, under a magnetic field in a clean bulk type II superconductor with weak sample disorder is believed to be a reflection of freezing of the vortex liquid to a kind of vortex solids. This fundamental issue on superconductivity is examined in detail. Based on the Ginzburg–Landau fluctuation theory for a three-dimensional (3D) system and through a supplementary study in 2D case, we find that the resistivity in the weakly disordered 3D case vanishes in a nearly discontinuous way, reflecting growth of the Bragg peaks on approaching the vortex lattice melting transition. In contrast, such a sharp decrease of the resistivity does not clearly appear in the corresponding 2D case. The consequences of this difference in the vanishing behavior of the resistivity between the 2D and 3D systems are discussed in relation to available experimental facts.
在磁场作用下,具有弱样品无序性的纯净块状 II 型超导体中的超导转变(定义为电阻率消失)被认为是涡流液体冻结为一种涡流固体的反映。本文详细研究了超导这一基本问题。基于三维(3D)系统的金兹堡-朗道波动理论,并通过对二维情况的补充研究,我们发现在弱无序的三维情况下,电阻率以近乎不连续的方式消失,这反映了在接近涡旋晶格熔化转变时布拉格峰的增长。相比之下,电阻率的这种急剧下降在相应的二维情况下并不明显。本文结合现有的实验事实,讨论了二维和三维系统之间电阻率消失行为的这种差异所产生的后果。
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引用次数: 0
Realistic Simulation of Valence-Band Photoemission Spectra by Using First-Principles Calculations on the Basis of FLAPW Method 在 FLAPW 方法的基础上利用第一原理计算真实模拟价带光发射光谱
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-24 DOI: 10.7566/jpsj.93.054709
Noriaki Hamada, Satoshi Nakamura, Kenta Takahashi, Mario Okawa, Tomohiko Saitoh
In order to reproduce experimental photoemission spectroscopy (PES) data by using band structure calculations with linearized augmented-plane-wave method, we developed a new method to calculate the atomic-subshell photoelectron differential cross section (PE-DCS) of the valence band. PE-DCS was calculated to be the sum of the products of the partial density of states (PDOS) and the photoionization differential cross section (PI-DCS) of each atomic subshell. To construct an appropriate PDOS beyond the conventional muffin-tin sphere (MTS) PDOS, we proposed a “nearly-neutral atomic sphere”, which can be defined as a natural extension of MTS. Although the calculational method for atomic-subshell PI-DCS was the standard Hartree–Fock–Slater method, we developed a new computer code in order to deal with the unoccupied electron shells in the ground state of isolated atoms up to ∼10 keV. Details of the PE-DCS calculations were examined by using two simple examples of Na metal and NaCl, and then, the method was applied to hard x-ray PES (HX-PES) data of CuAlO2. The experimental spectra were satisfactorily reproduced, demonstrating the potential applications of our method to HX-PES spectra of many compounds.
为了通过线性化增强平面波方法的能带结构计算来重现实验光发射光谱(PES)数据,我们开发了一种新方法来计算价带的原子子壳光电子微分截面(PE-DCS)。计算得出的 PE-DCS 是每个原子子壳的部分态密度(PDOS)和光离子化微分截面(PI-DCS)的乘积之和。为了在传统的松饼锡球(MTS)部分态密度之外构建合适的部分态密度,我们提出了 "近中性原子球",它可以被定义为 MTS 的自然扩展。虽然原子子壳 PI-DCS 的计算方法是标准的哈特里-福克-斯莱特方法,但我们开发了一种新的计算机代码,以处理孤立原子基态中高达 ∼10 keV 的未占电子壳。我们以 Na metal 和 NaCl 两个简单的例子考察了 PE-DCS 计算的细节,然后将该方法应用于 CuAlO2 的硬 X 射线 PES(HX-PES)数据。实验光谱得到了令人满意的再现,这表明我们的方法有可能应用于许多化合物的 HX-PES 光谱。
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引用次数: 0
RKKY Interactions and Multipole Order in Ab initio Wannier Model of CeCoSi 钴硅的 Ab initio Wannier 模型中的 RKKY 相互作用和多极秩序
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-23 DOI: 10.7566/jpsj.93.053703
Takemi Yamada, Yuki Yanagi, Keisuke Mitsumoto
We calculate the RKKY interactions derived from ab initio calculations for the intermetallic compound CeCoSi exhibiting the hidden nonmagnetic order at T0 and examine the instability towards possible multipole orders within the random phase approximation. All 36 multipole interactions up to rank 5 are investigated, and the maximum susceptibility exhibits an antiferro order with q = 0 for nonmagnetic multipoles of monopole I and hexadecapole H0, yielding a charge imbalance of f electrons at two Ce atoms in the unit cell. The obtained order can explain some experiments.
我们计算了金属间化合物 CeCoSi 在 T0 时表现出隐藏非磁性阶的 RKKY 相互作用,并考察了随机相近似中可能存在的多极阶的不稳定性。研究了秩 5 以下的所有 36 种多极相互作用,对于单极 I 和十六极 H0 的非磁性多极,最大电感表现出 q = 0 的反铁磁阶,在单位晶胞中的两个 Ce 原子上产生 f 电子的电荷不平衡。所得到的阶可以解释一些实验。
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引用次数: 0
Intermolecular Correlations in Liquid Lactic Acid Based on ab initio Molecular Dynamics Simulations Combined with High-Energy X-ray Diffraction Measurements 基于ab initio分子动力学模拟和高能X射线衍射测量的液态乳酸分子间相关性研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-23 DOI: 10.7566/jpsj.93.054601
Kai Ito, Hironori Shimakura, Shuta Tahara, Koji Ohara, Akihide Koura, Kohei Shimamura, Fuyuki Shimojo
The structural and bonding properties of liquid L-lactic acid were investigated through ab initio molecular dynamics simulations, leveraging on the agreement between the static structure factors obtained from high-energy X-ray diffraction (HEXRD) measurements. It has been demonstrated that predominant intermolecular interactions arise from hydrogen bonding. Hydrogen atoms in two hydroxy groups tend to form hydrogen bonds with two of the three oxygen atoms in neighboring molecules. This results in the presence of an oxygen atom in the hydroxy group of the carboxy group that does not significantly contribute to hydrogen bond formation with neighboring hydrogen atoms. This is consistent with the behavior observed in the crystalline phase. However, in the liquid state, four types of intermolecular hydrogen bonds are primarily formed, whereas in the crystal, only two types are observed. We show that the directionality of hydrogen bonds determines the intermolecular orientation. We thoroughly studied the structural properties and covalent bonding between atoms and charged states of atoms.
利用高能 X 射线衍射(HEXRD)测量得到的静态结构因子之间的一致性,通过 ab initio 分子动力学模拟研究了液态 L-乳酸的结构和键合特性。结果表明,分子间的主要相互作用来自氢键。两个羟基中的氢原子倾向于与相邻分子中三个氧原子中的两个形成氢键。这导致羧基羟基中的一个氧原子对与邻近氢原子形成氢键的作用不大。这与在结晶相中观察到的行为一致。然而,在液态中,主要形成四种类型的分子间氢键,而在晶体中只观察到两种类型。我们发现氢键的方向性决定了分子间的取向。我们深入研究了原子和原子带电状态之间的结构特性和共价键。
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引用次数: 0
Multi-Triplon Excitations of Hubbard Ladders with Site-Dependent Potentials 哈伯梯的多三重子激发与位点相关电势
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-22 DOI: 10.7566/jpsj.93.054707
Nobuya Maeshima, Ken-ichi Hino
We study low-lying spin-singlet excitations of two-leg Hubbard ladders with site-dependent potentials. Using general formulas of the charge disproportionation induced by the site-dependent potentials, we derive the contributions of spin degrees of freedom to the spectral functions such as the dynamical charge structure factor (N(boldsymbol{k},omega )) and the optical conductivity σγ(ω) along the γ (( = x,y))-direction of the two-leg ladders. Numerical results obtained by the Lanczos diagonalization method have clarified that the multi-triplon singlet states, including two- and three-triplon excitations, can be detected by observing these quantities. Furthermore, we have found that ladders with random potentials also have non-negligible contributions of these excitations to σx(ω).
我们研究了两腿哈伯德梯子的低自旋小星子激发,它具有与位点相关的电势。利用与位点相关的电位诱导的电荷比例失调的一般公式,我们推导出了自旋自由度对谱函数的贡献,如动态电荷结构因子(N(boldsymbol{k},omega ))和沿两腿梯子的γ (( = x,y))方向的光导率σγ(ω)。用兰克佐斯对角化方法得到的数值结果表明,多三重子单子态(包括二重子和三重子激发态)可以通过观察这些量来探测。此外,我们还发现具有随机电势的梯子也对 σx(ω) 具有不可忽略的激发贡献。
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引用次数: 0
Investigation of Vibration and Sensing of Chalcogenide Microfiber Integrated with Hollow-core Fiber 研究与中空芯纤维集成的卤化铝超细纤维的振动和传感性能
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-18 DOI: 10.7566/jpsj.93.054401
Hongkun Guo, Huili Fan, Hui He, Liwen Cheng, Huibo Fan
We propose and investigate a fiber-optic sensor of As2Se3 chalcogenide (ChG) microfiber laterally adhered on the hollow-core fiber (HCF) end face. HCF is fused with a single-mode fiber to form Fabry–Perot interferometer (FPI) between single-mode fiber (SMF) end face and ChG microfiber. ChG microfiber is ultra-sensitive to the small perturbations in the surroundings, because of its high refractive index and small Young’s modulus. Furthermore, relative to traditional fiber-optic FPI comprised by thin film, our proposed FPI with thin-diameter ChG microfiber could respond to mechanical vibrations over a broad range of frequencies. Based on finite-element simulation, ChG microfiber has ultra-broadband dynamic frequency response, up to several hundreds of megahertz accompanied by a very small response strength decay, in comparison to the frequency response of ChG film which is typically less than 30 MHz. ChG microfiber-based FPI is also used in the static refractometric sensing with sensitivity of 1563 nm/RIU. Such a novel fiber-optic sensor offers excellent potential for the nondestructive detection and advanced biomedical sensing.
我们提出并研究了一种由横向粘附在空芯光纤(HCF)端面的 As2Se3 Chalcogenide(ChG)超细纤维组成的光纤传感器。HCF 与单模光纤融合,在单模光纤(SMF)端面和 ChG 微纤维之间形成法布里-珀罗干涉仪(FPI)。ChG 超细纤维折射率高、杨氏模量小,因此对周围环境的微小扰动非常敏感。此外,相对于由薄膜组成的传统光纤 FPI,我们提出的带有薄直径 ChG 超细纤维的 FPI 可以在很宽的频率范围内对机械振动做出响应。基于有限元模拟,ChG 超细纤维具有超宽带动态频率响应,最高可达数百兆赫兹,同时响应强度衰减非常小,而 ChG 薄膜的频率响应通常小于 30 兆赫兹。基于 ChG 超细纤维的 FPI 还可用于静态折射传感,灵敏度为 1563 nm/RIU。这种新型光纤传感器为无损检测和先进的生物医学传感提供了巨大的潜力。
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引用次数: 0
Hydrostatic Pressure Studies on Non-Superconducting UTe2 非超导碲化镉 2 的静水压力研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-16 DOI: 10.7566/jpsj.93.055001
M. O. Ajeesh, Joe D. Thompson, Eric D. Bauer, Filip Ronning, Sean M. Thomas, Priscila F. S. Rosa
We report the temperature–pressure phase diagram of a UTe2 single crystal that does not undergo a bulk superconducting transition but shows filamentary superconductivity with a critical transition temperature of 1 K at ambient pressure. Electrical-resistivity measurements reveal that the evolution of the filamentary superconducting state under pressure resembles the behavior observed in previous reports on bulk superconducting samples. AC calorimetry, however, does not show evidence for either bulk superconductivity or magnetism for pressures up to 1.6 GPa. Our results highlight the role of inhomogeneity in chemical-vapor-transport-grown UTe2 samples and serve as a cautionary tale when probing electrical resistivity alone.
我们报告了一种 UTe2 单晶体的温压相图,这种单晶体没有发生体超导转变,而是显示出丝状超导性,在环境压力下临界转变温度为 1 K。电电阻率测量结果表明,丝状超导态在压力下的演化过程与之前关于块状超导样品的报告中观察到的行为相似。然而,交流量热法并没有显示出在高达 1.6 GPa 的压力下存在块状超导或磁性的证据。我们的研究结果凸显了化学气相传输生长的 UTe2 样品中不均匀性的作用,并为单独探测电阻率提供了警示。
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引用次数: 0
Evaluation of the Exchange Stiffness Constants of Itinerant Magnets at Finite Temperatures from the First-Principles Calculations 通过第一性原理计算评估有限温度下巡回磁体的交换刚性常数
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-04-16 DOI: 10.7566/jpsj.93.054705
Akimasa Sakuma
We attempted to evaluate the exchange stiffness constant, A(T) of fcc-Fe0.2Ni0.8 and L10-type FePt at finite temperatures employing the first-principles calculation. The spin fluctuation at a finite temperature was handled using the coherent potential approximation under the disordered-local-moment picture, and the A(T) was evaluated based on the free energy of spin spiral structure created in the effective medium representing the fluctuating spins. For fcc-Fe0.2Ni0.8, calculated A(0) was approximately 10 meV/Å. With increasing temperature, A(T) exhibits a linear-like decrease and becomes approximately 7 meV/Å at around room temperature which is in the range of experimentally expected value. This behavior somewhat deviates from the theoretical prediction considering a magnon–magnon scattering in the Heisenberg model. For FePt, we found a considerable anisotropy between A001(T) and A100(T) for spiral wave vectors along the directions of 〈001〉 and 〈100〉, respectively.
我们试图利用第一原理计算来评估 fcc-Fe0.2Ni0.8 和 L10 型 FePt 在有限温度下的交换刚度常数 A(T)。有限温度下的自旋波动是利用无序局域动量图下的相干势近似来处理的,A(T) 是根据在代表波动自旋的有效介质中产生的自旋螺旋结构的自由能来评估的。对于 fcc-Fe0.2Ni0.8,计算出的 A(0) 约为 10 meV/Å。随着温度的升高,A(T) 呈线性下降,在室温左右约为 7 meV/Å,处于实验预期值范围内。考虑到海森堡模型中的磁子-磁子散射,这一行为与理论预测有些偏差。对于铁铂,我们发现沿〈001〉和〈100〉方向的螺旋波矢量 A001(T) 和 A100(T) 之间存在相当大的各向异性。
{"title":"Evaluation of the Exchange Stiffness Constants of Itinerant Magnets at Finite Temperatures from the First-Principles Calculations","authors":"Akimasa Sakuma","doi":"10.7566/jpsj.93.054705","DOIUrl":"https://doi.org/10.7566/jpsj.93.054705","url":null,"abstract":"We attempted to evaluate the exchange stiffness constant, <i>A</i>(<i>T</i>) of fcc-Fe<sub>0.2</sub>Ni<sub>0.8</sub> and <i>L</i>1<sub>0</sub>-type FePt at finite temperatures employing the first-principles calculation. The spin fluctuation at a finite temperature was handled using the coherent potential approximation under the disordered-local-moment picture, and the <i>A</i>(<i>T</i>) was evaluated based on the free energy of spin spiral structure created in the effective medium representing the fluctuating spins. For fcc-Fe<sub>0.2</sub>Ni<sub>0.8</sub>, calculated <i>A</i>(0) was approximately 10 meV/Å. With increasing temperature, <i>A</i>(<i>T</i>) exhibits a linear-like decrease and becomes approximately 7 meV/Å at around room temperature which is in the range of experimentally expected value. This behavior somewhat deviates from the theoretical prediction considering a magnon–magnon scattering in the Heisenberg model. For FePt, we found a considerable anisotropy between <i>A</i><sub>001</sub>(<i>T</i>) and <i>A</i><sub>100</sub>(<i>T</i>) for spiral wave vectors along the directions of 〈001〉 and 〈100〉, respectively.","PeriodicalId":17304,"journal":{"name":"Journal of the Physical Society of Japan","volume":"3 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140576441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Journal of the Physical Society of Japan
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