Linear response Kubo-Bastin formalism with application to the anomalous and spin Hall effects: A first-principles approach

2015 ◽  
Vol 92 (18) ◽  
Author(s):  
Diemo Ködderitzsch ◽  
Kristina Chadova ◽  
Hubert Ebert
2021 ◽  
Vol 90 (2) ◽  
pp. 024707
Author(s):  
Guanxiong Qu ◽  
Kohji Nakamura ◽  
Masamitsu Hayashi

2019 ◽  
Vol 99 (2) ◽  
Author(s):  
L. Chotorlishvili ◽  
Z. Toklikishvili ◽  
X.-G. Wang ◽  
V. K. Dugaev ◽  
J. Barnaś ◽  
...  

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Xi Zuo ◽  
Quan Gao ◽  
Xuelei Sui ◽  
Xuhui Xu ◽  
Xinxin Jiang ◽  
...  

Author(s):  
Daniel Lambrecht ◽  
Eric Berquist

We present a first principles approach for decomposing molecular linear response properties into orthogonal (additive) plus non-orthogonal/cooperative contributions. This approach enables one to 1) identify the contributions of molecular building blocks like functional groups or monomer units to a given response property and 2) quantify cooperativity between these contributions. In analogy to the self consistent field method for molecular interactions, SCF(MI), we term our approach LR(MI). The theory, implementation and pilot data are described in detail in the manuscript and supporting information.


Author(s):  
I. Yu. Sklyadneva ◽  
Rolf Heid ◽  
Pedro Miguel Echenique ◽  
Evgueni Chulkov

Electron-phonon interaction in the Si(111)-supported rectangular √(7 ) ×√3 phases of In is investigated within the density-functional theory and linear-response. For both single-layer and double-layer √(7 ) ×√3 structures, it...


AIP Advances ◽  
2017 ◽  
Vol 7 (12) ◽  
pp. 125218
Author(s):  
Qiuru Wang ◽  
Wenxu Zhang ◽  
Bin Peng ◽  
Wanli Zhang

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
M. Umar Farooq ◽  
Arqum Hashmi ◽  
Tomoya Ono ◽  
Li Huang

AbstractUsing first-principles calculations, we investigate the possibility of realizing valley Hall effects (VHE) in blistered graphene sheets. We show that the Van Hove singularities (VHS) induced by structural deformations can give rise to interesting spin–valley Hall phenomena. The broken degeneracy of spin degree of freedom results in spin-filtered VH states and the valley conductivity have a Hall plateau of ±e2/2h, while the blistered structures with time-reversal symmetry show the VHE with the opposite sign of $$\sigma _{xy}^{K/K^{\prime}}$$ σ x y K / K ′ (e2/2h) in the two valleys. Remarkably, these results show that the distinguishable chiral valley pseudospin state can occur even in the presence of VHS induced spin splitting. The robust chiral spin–momentum textures in both massless and massive Dirac cones of the blistered systems indicate significant suppression of carrier back-scattering. Our study provides a different approach to realize spin-filtered and spin-valley contrasting Hall effects in graphene-based devices without any external field.


2021 ◽  
Vol 4 (1) ◽  
Author(s):  
X. R. Wang

AbstractSpin current is a very important tensor quantity in spintronics. However, the well-known spin-Hall effect (SHE) can only generate a few of its components whose propagating and polarization directions are perpendicular with each other and to an applied charge current. It is highly desirable in applications to generate spin currents whose polarization can be in any possible direction. Here anomalous SHE and inverse spin-Hall effect (ISHE) in magnetic systems are predicted. Spin currents, whose polarisation and propagation are collinear or orthogonal with each other and along or perpendicular to the charge current, can be generated, depending on whether the applied charge current is along or perpendicular to the order parameter. In anomalous ISHEs, charge currents proportional to the order parameter can be along or perpendicular to the propagating or polarization directions of the spin current.


2020 ◽  
Vol 19 (2) ◽  
pp. 170-175 ◽  
Author(s):  
L. Antonio Benítez ◽  
Williams Savero Torres ◽  
Juan F. Sierra ◽  
Matias Timmermans ◽  
Jose H. Garcia ◽  
...  

2015 ◽  
Vol 91 (11) ◽  
Author(s):  
Wei Zhang ◽  
Matthias B. Jungfleisch ◽  
Wanjun Jiang ◽  
Yaohua Liu ◽  
John E. Pearson ◽  
...  

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