2018
DOI: 10.1103/physrevb.97.035158
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Gyrotropic effects in trigonal tellurium studied from first principles

Abstract: We present a combined ab initio study of several gyrotropic effects in p-doped trigonal tellurium (effects that reverse direction with the handedness of the spiral chains in the atomic structure). The key ingredients in our study are the k-space Berry curvature and intrinsic orbital magnetic moment imparted on the Bloch states by the chirality of the crystal structure. We show that the observed sign reversal with temperature of the circular photogalvanic effect can be explained by the presence of Weyl points n… Show more

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Cited by 135 publications
(92 citation statements)
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“…(The latter can be written as the first gradient with respect to the wavevector of the dielectric tensor.) First-principles calculations of natu-ral gyrotropy are starting to appear; [42] we expect that, by bringing it within the scopes of DFPT, the formalism presented here will greatly simplify the calculation of this interesting quantity as well. In the context of ferroic materials, we also expect our method to facilitate the development of first-principles based continuum models [43] and effective Hamiltonians [44], where gradient-mediated couplings often play an important role.…”
Section: Discussionmentioning
confidence: 99%
“…(The latter can be written as the first gradient with respect to the wavevector of the dielectric tensor.) First-principles calculations of natu-ral gyrotropy are starting to appear; [42] we expect that, by bringing it within the scopes of DFPT, the formalism presented here will greatly simplify the calculation of this interesting quantity as well. In the context of ferroic materials, we also expect our method to facilitate the development of first-principles based continuum models [43] and effective Hamiltonians [44], where gradient-mediated couplings often play an important role.…”
Section: Discussionmentioning
confidence: 99%
“…3 for ∆U = 10 meV. Our result demonstrates explicitly that Magnus Hall effect does not rely on Berry curvature dipole [26,[38][39][40][41][42][43] or the presence of skew scattering [44][45][46][47] that are necessary conditions for nonlinear Hall effect.…”
Section: Gate Gatementioning
confidence: 73%
“…Building on existing Wannier-interpolation schemes for calculating the spontaneous intrinsic AHC and orbital magnetisation, 32,84 the corresponding methodology for gyrotropic effects was presented in Ref. 85, where it was applied to p-doped trigonal tellurium (in that work, only the intraband contribution to the CPGE was considered). The resulting computer code has been incorporated in Wannier90 as the gyrotropic.F90 module.…”
Section: B Postw90x: Gyrotropic Modulementioning
confidence: 99%
“…The reader is referred to Ref. 85 for more details such as the prefactors in the expressions above, as well as the formulas for the current-induced Faraday effect and natural optical activity, both of which are also implemented in the gyrotropic.F90 module.…”
Section: B Postw90x: Gyrotropic Modulementioning
confidence: 99%