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Robustness against Disorder of Relativistic Spectral Properties in Chalcogenide Alloys by Di Sante, Domenico; Barone, Paolo; Plekhanov, Evgeny; Ciuchi, Sergio; Picozzi, Silvia is a scholarly article available to read on EtoBox.

What is Robustness against Disorder of Relativistic Spectral Properties in Chalcogenide Alloys about?

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.

Author

Di Sante, Domenico; Barone, Paolo; Plekhanov, Evgeny; Ciuchi, Sergio; Picozzi, Silvia

Published

2014

Language

EN