Electronic structure of zaykovite Rh$_3$Se$_4$, prediction and analysis of physical properties of related materials: Pd$_3$Se$_4$, Ir$_3$Se$_4$, and Pt$_3$Se$_4$

Leonid S. Taran; Sergey V. Eremeev; Sergey V. Streltsov

doi:10.1063/5.0232257

paper

Electronic structure of zaykovite Rh $_{3}$ Se $_{4}$ , prediction and analysis of physical properties of related materials: Pd $_{3}$ Se $_{4}$ , Ir $_{3}$ Se $_{4}$ , and Pt $_{3}$ Se $_{4}$

arXiv:2409.18505 · doi:10.1063/5.0232257

Abstract

In this work, we explore the electronic properties and chemical bonding in the recently discovered mineral zaykovite, the first natural rhodium selenide Rh $_{3}$ Se $_{4}$ . We comprehensively studied the bulk electronic structure, hybridization of rhodium and selenium orbitals, and the influence of spin-orbit interaction on the electronic spectrum, as well as inspected its topological properties. Besides, we investigated the surface electronic structure of zaykovite and revealed the anisotropic Rashba-type spin splitting in the surface states. In addition, using calculations of the phonon spectra and enthalpy of formation we predicted the family of similar selenides based on other $4 d$ and $5 d$ transition metals such as Ir, Pd, and Pt. The structural and electronic properties of these materials are discussed.

arXiv comment10 pages, 8 figures, to be published in The Journal of Chemical Physics

Electronic structure of zaykovite Rh3​Se4​, prediction and analysis of physical properties of related materials: Pd3​Se4​, Ir3​Se4​, and Pt3​Se4​

Abstract

References in corpus (10)

Electronic structure of zaykovite Rh $_{3}$ Se $_{4}$ , prediction and analysis of physical properties of related materials: Pd $_{3}$ Se $_{4}$ , Ir $_{3}$ Se $_{4}$ , and Pt $_{3}$ Se $_{4}$