Computation of intrinsic spin Hall conductivities from first principles using maximally localized Wannier functions

Ryoo, Ji Hoon; Park, Cheol-Hwan; Souza, Ivo

doi:10.1103/physrevb.99.235113

Cited by 40 publications

(24 citation statements)

References 34 publications

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“…Spin Hall angle.-Because of the correlation between the SHA and SDL observed in measurements [27], it is desirable to determine Θ sH using the same approximations as were used to calculate l sf . Most quantitative theoretical studies of the SHE [47][48][49][50] are based upon the Kubo formalism and have focused on the so-called intrinsic contribution that does not consider the role of the electron-phonon scattering mechanism that dominates the resistivity of elemental metals at room temperature where the vast majority of Θ sH determinations have been made [16]. In the linear response regime, the scattering theory we use is equivalent to the Kubo formalism [51] and therefore includes the intrinsic contribution as well as that from electron-phonon coupling.…”

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confidence: 99%

Spin-Flip Diffusion Length in 5d Transition Metal Elements: A First-Principles Benchmark

et al. 2021

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Little is known about the spin-flip diffusion length l sf , one of the most important material parameters in the field of spintronics. We use a density-functional-theory based scattering approach to determine values of l sf that result from electron-phonon scattering as a function of temperature for all 5d transition metal elements. l sf does not decrease monotonically with the atomic number Z but is found to be inversely proportional to the density of states at the Fermi level. By using the same local current methodology to calculate the spin Hall angle Θ sH that characterizes the efficiency of the spin Hall effect, we show that the products ρðTÞl sf ðTÞ and Θ sH ðTÞl sf ðTÞ are constant.

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confidence: 99%

Spin-Flip Diffusion Length in 5d Transition Metal Elements: A First-Principles Benchmark

et al. 2021

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“…The intrinsic SHC was calculated via the Kubo formula, as shown below, in the clean case. We expect the SHC in the clean-case limit is given by the intrinsic SHC value due to the vanishing vertex corrections under the symmetry of H(k) = H(−k) 17,[42][43][44] .…”

Section: Methodsmentioning

confidence: 99%

Origin and Large Enhancement of Large Spin Hall Angle in Weyl Semimetals LaAl$X$ ($X$=Si, Ge)

Ng,

Luo,

Yuan

et al. 2020

Preprint

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Recently discovered a family of Weyl semimetals, LaAlX (X=Si, Ge), show coexistence of multiple types of nodal lines and points near the Fermi level (E F ), which may possess large intrinsic spin Hall effect (SHE) and high conversion efficiency of charge-to-spin current by the spin-orbit torque. Here, we theoretically study the intrinsic spin Hall conductivity (SHC) and electrical conductivity in nonmagnetic LaAlSi and LaAlGe by the first-principles calculations. Our results show that both of them exhibit large intrinsic SHC, varying from -210 to -361 ( /e) S/cm, which can be further boosted to -560 ( /e) S/cm by 0.01 hole doping/uc. The calculated spin Hall angle of LaAlSi and LaAlGe is 0.040 and 0.046 respectively, which is comparable to Pt, showing a high efficient charge-spin current conversion in LaAlX. The underlying physics of such high SHC and its enhancement by h-doping is revealed by the band-resolved and k-resolved spin Berry curvature.The strong SHE in LaAlX originates from the multiple slightly anticrossings of nodal lines and points near E F due to their high mirror symmetry and large spin-orbit coupling.

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“…We calculate the intrinsic spin Hall conductivity 55 in order to investigate the implication of the spin texture change and saddle points on spin transport properties. The intrinsic spni Hall conductivity in the static limit can be derived from the Kubo formula [55][56][57][58][59][60][61][62][63] as follows:…”

Section: Intrinsic Spin Hall Conductivitymentioning

confidence: 99%

Dichotomy of saddle points in energy bands of a monolayer NbSe$_2$

Kim,

Son

2021

Preprint

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We theoretically show that two distinctive spin textures manifest themselves around saddle points of energy bands in a monolayer NbSe2 under external gate potentials. While the density of states at all saddle points diverge logarithmically, ones at the zone boundaries display a windmill-shaped spin texture while the others unidirectional spin orientations. The disparate spin-resolved states are demonstrated to contribute an intrinsic spin Hall conductivity significantly while their characteristics differ from each other. Based on a minimal but essential tight-binding approximation reproducing first-principles computation results, we established distinct effective Rashba Hamiltonians for each saddle point, realizing the unique spin textures depending on their momentum. Energetic positions of the saddle points in a single layer NbSe2 are shown to be well controlled by a gate potential so that it could be a prototypical system to test a competition between various collective phenomena triggered by diverging density of states and their spin textures in low-dimension.

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Computation of intrinsic spin Hall conductivities from first principles using maximally localized Wannier functions

Cited by 40 publications

References 34 publications

Spin-Flip Diffusion Length in 5d Transition Metal Elements: A First-Principles Benchmark

Spin-Flip Diffusion Length in 5d Transition Metal Elements: A First-Principles Benchmark

Origin and Large Enhancement of Large Spin Hall Angle in Weyl Semimetals LaAl$X$ ($X$=Si, Ge)

Dichotomy of saddle points in energy bands of a monolayer NbSe$_2$

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