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- W2227144564 abstract "In order to carefully address the interplay between substitutional disorder and spin-orbit-coupling in IV-VI alloys, we propose a novel theoretical approach that integrates the reliability of plane-wave based density-functional theory beyond the local-density approximation with the Coherent Potential Approximation. By applying the proposed method to ternary chalcogenide alloys, we predict a substantial robustness of spectral features close to the Fermi energy against substitutional disorder. Supplementing our first-principles calculations with the analysis of the $k cdot p$ model for rock-salt chalcogenides, we show that the disorder self-energy is vanishingly small close to the band gap, thus allowing for bulk Rashba-like spin splitting to be observed in ferroelectric alloys, such as PbS$_x$Te$_{1-x}$, and protecting the band-character inversion related to the topological transition in the recently discovered Topological Crystalline Insulator Pb$_{1-x}$Sn$_x$Te." @default.
- W2227144564 created "2016-06-24" @default.
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- W2227144564 date "2014-07-08" @default.
- W2227144564 modified "2023-09-27" @default.
- W2227144564 title "Robustness against Disorder of Relativistic Spectral Properties in Chalcogenide Alloys" @default.
- W2227144564 hasPublicationYear "2014" @default.
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