GGA and GGA Plus U Study of Half-Metallic Quaternary Heusler Compound CoCrScSn
The structural, mechanical, electronic, magnetic, and half-metallic properties of quaternary Heusler compound CoCrScSn are studied using the GGA and GGA + U method based on first-principles calculations. It is found that Type-I structure of CoCrScSn compound is the most stable, and its ground state...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2020-06-01
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Series: | Frontiers in Physics |
Subjects: | |
Online Access: | https://www.frontiersin.org/article/10.3389/fphy.2020.00232/full |