Tuning the electronic properties of transition-metal trichalcogenides via tensile strain
Author:
Affiliation:
1. College of Chemical engineering
2. North China University of Science and Technology
3. Tang shan, China
4. Department of Chemistry and Department Mechanics and Materials Engineering
5. University of Nebraska-Lincoln
6. Lincoln, USA
Abstract
A comprehensive study of the effect of tensile strain (ε = 0% to 8%) on the electronic structures of two-dimensional (2D) transition-metal trichalcogenide (TMTC) monolayers MX3 (M = Ti, Zr, Hf, Nb; X = S, Se Te) is performed on the basis of density functional theory (DFT) computation.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science
Link
http://pubs.rsc.org/en/content/articlepdf/2015/NR/C5NR04505C
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