First-principles calculations of structural, electronic, and thermodynamic properties of monolayer Si1−xGexC sheet
Author:
Affiliation:
1. State Key Laboratory of Solidification Processing
2. School of Materials Science and Engineering
3. Northwestern Polytechnical University
4. Xi'an 710072
5. China
Abstract
The bowing coefficient of structural parameters is calculated. A band gap transition is also observed. The T–x phase diagram is calculated and shows a critical temperature of 187.4 K.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA09229B
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