Insight into the electronic and thermodynamic properties of NbSi2 from first-principles calculations
Author:
Affiliation:
1. School of Materials Science and Engineering
2. Southwest Petroleum University
3. Chengdu 610500
4. China
Abstract
The electronic and thermodynamic properties of NbSi2 with four structures (C40, C11b, C54 and C49) were studied in terms of first-principle calculations.
Funder
Southwest Petroleum University
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/RA/C8RA04959A
Reference40 articles.
1. Analysis of the electrical resistivity of Ti, Mo, Ta, and W monocrystalline disilicides
2. Relationship between Si concentration and mechanical properties ofNb–Si compounds: A first-principles study
3. Theoretical prediction of structural stability, electronic and elastic properties of ZrSi2 under pressure
4. Vacancy induced brittle-to-ductile transition of Nb5Si3 alloy from first-principles
5. Insight into the electronic and mechanical properties of novel TMCrSi ternary silicides from first-principles calculations
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