On the Stability and Electronic Structure of Transition-Metal Dichalcogenide Monolayer Alloys Mo1−xXxS2−ySey with X = W, Nb

Electronics

Agnieszka Kuc¹  Thomas Heine¹ 

[1] Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstr. 2, 04103 Leipzig, Germany;

关键词: transition-metal dichalcogenide monolayers;    alloys;    electronic structure;    spin-orbit coupling;    density of states;    density-functional theory;   

DOI  :  10.3390/electronics5010001

来源: mdpi

【 摘 要 】

Layered transition-metal dichalcogenides have extraordinary electronic properties, which can be easily modified by various means. Here, we have investigated how the stability and electronic structure of MoS alloys exhibit spin-splitting of the valence band of strength that is in between that of the pure materials. Moreover, small, but evident spin-splitting is introduced in the conduction band due to the symmetry breaking. Therefore, transition-metal dichalcogenide alloys are interesting candidates for optoelectronic and spintronic applications.

【 授权许可】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.