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Using first-principles density-functional theory (DFT) calculations, we investigate the 4/3-monolayer structure of Pb on the Si(111) or Ge(111) surface within the two competing structural models termed the H$_3$ and T$_4$ structures. We…

计算物理 · 物理学 2016-09-21 Xiao-Yan Ren , Hyun-Jung Kim , Seho Yi , Yu Jia , Jun-Hyung Cho

The effect of spin-orbit coupling on the electronic structure of the layered iron-free pnictide superconductor, SrPtAs, has been studied using the full potential linearized augmented plane wave method. The anisotropy in Fermi velocity,…

超导电性 · 物理学 2012-02-09 S. J. Youn , S. H. Rhim , D. F. Agterberg , M. Weinert , A. J. Freeman

Spin-orbit coupling (SOC) is a relativistic effect, where an electron moving in an electric field experiences an effective magnetic field in its rest frame. In crystals without inversion symmetry, it lifts the spin degeneracy and leads to…

Measuring the magnetoresistance (MR) of ultraclean {\it GaAs} two-dimensional holes in a large $r_s$ range of 20-50, two striking behaviors in relation to the spin-orbit coupling (SOC) emerge in response to strong electron-electron…

强关联电子 · 物理学 2017-06-02 Jian Huang , L. N. Pfeiffer , K. W. West

The electronic structures and thermoelectric properties of semiconducting transition-metal dichalcogenide monolayers $\mathrm{MX_2}$ (M=Zr, Hf, Mo, W and Pt; X=S, Se and Te) are investigated by combining first-principles and Boltzmann…

材料科学 · 物理学 2017-08-23 San-Dong Guo , Jian-Li Wang

Spin-orbit coupling (SOC) is a fundamental interaction in solids which can induce a broad spectrum of unusual physical properties from topologically non-trivial insulating states to unconventional pairing in superconductors. In iron-based…

We have performed full-relativistic density functional theory calculations to study the geometry and binding energy of different isomers of free platinum clusters Pt$_{n}$ ($n=4-6$) within the spin multiplicities from singlet to nonet. The…

原子与分子团簇 · 物理学 2016-07-06 Ali Sebetci

Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of…

强关联电子 · 物理学 2010-12-15 A. Piñeiro , A. S. Botana , V. Pardo , D. Baldomir

Spin-orbit coupling (SOC) is pivotal for various fundamental spin-dependent phenomena in solids and their technological applications. In semiconductors, these phenomena have been so far studied in relatively weak electron-electron…

介观与纳米尺度物理 · 物理学 2021-06-09 D. Maryenko , M. Kawamura , A. Ernst , V. K. Dugaev , E. Ya. Sherman , M. Kriener , M. S. Bahramy , Y. Kozuka , M. Kawasaki

Spin-orbit coupling (SOC) is a key interaction in spintronics, allowing an electrical control of spin or magnetization and, vice versa, a magnetic control of electrical current. However, recent advances have revealed much broader…

Spin-orbit coupling (SOC) plays a crucial role in determining the spin structure of an odd parity psedospin-triplet Cooper pairing state. Here, we present a thorough study of how SOC lifts the degeneracy among different p-wave…

超导电性 · 物理学 2020-02-11 Zhiqiang Wang , Xin Wang , Catherine Kallin

In most existing theories for iron-based superconductors, spin-orbit coupling (SOC) has been assumed insignificant. Even though recent experiments have revealed an influence of SOC on the electronic band structure, whether SOC fundamentally…

超导电性 · 物理学 2017-05-23 Mingwei Ma , Philippe Bourges , Yvan Sidis , Yang Xu , Shiyan Li , Biaoyan Hu , Jiarui Li , Fa Wang , Yuan Li

Understanding the role of spin-orbit coupling (SOC) has been crucial to controlling magnetic anisotropy in magnetic multilayer films. It has been shown that electronic structure can be altered via interface SOC by varying the superlattice…

Using density functional theory calculations with spin-orbit coupling (SOC), we report on the temperature-dependent thermodynamical properties of Pb: electrical resistivity, thermal expansion (TE), heat capacity, bulk modulus and its…

材料科学 · 物理学 2025-03-13 Félix Antoine Goudreault , Samuel Poncé , Feliciano Giustino , Michel Côté

We investigate the interplay of spin-orbit coupling (SOC) and electronic correlations in Sr2RuO4 using dynamical mean-field theory. We find that SOC does not affect the correlation-induced renormalizations, which validates the Hund's metal…

强关联电子 · 物理学 2018-03-28 Minjae Kim , Jernej Mravlje , Michel Ferrero , Olivier Parcollet , Antoine Georges

Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization…

材料科学 · 物理学 2022-02-21 Jiayu Li , Qiushi Yao , Lin Wu , Zongxiang Hu , Boya Gao , Xiangang Wan , Qihang Liu

We have studied in detail the electronic structure of IrO$_2$ including spin-orbit coupling (SOC) and electron-electron interaction, both within the GGA+U and GGA+DMFT approximations. Our calculations reveal that the Ir t$_{2g}$ states at…

强关联电子 · 物理学 2014-04-25 S. K. Panda , S. Bhowal , A. Delin , O. Eriksson , I. Dasgupta

The influence of spin-orbit coupling (SOC) on the physical properties of the 5d2 system Sr2MgOsO6 is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional…

The electronic band structure of monolayer phosphorene is thoroughly studied by considering the presence of spin-orbit interaction. We employ a multiorbital Slater-Koster tight-binding approach to derive effective k.p-type Hamiltonians that…

介观与纳米尺度物理 · 物理学 2024-08-13 Mayra Peralta , Dennis A. Freire , Rafael González-Hernández , Francisco Mireles

We investigate the spin-orbit coupling (SOC) effects on the electronic structures and semi-classic transport coefficients of half-Heusler $\mathrm{ANiB}$ (A=Ti, Hf, Sc, Y; B=Sn, Sb, Bi) by using generalized gradient approximation (GGA).…

材料科学 · 物理学 2015-12-25 San-Dong Guo
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