First principles study on geometry structure, elastic property and electronic structure of La-doped Mg<sub>2</sub>Si

First principles study on geometry structure, elastic property and electronic structure of La-doped Mg<sub>2</sub>Si

The geometrical structure, elastic properties and electronic structure of Mg<sub>2</sub>Si doped with lanthanum (La) were calculated and analyzed by using the first-principles plane wave pseudopotential method of density functional theory. Firstly, combined with the results of the format...

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Bibliographic Details
Main Authors: LI Ying-min, MA Ming-tan, REN Yu-yan, LIU Tong-yu
Format: Article
Language:zho
Published: Journal of Materials Engineering 2020-04-01
Series:Journal of Materials Engineering
Subjects:
first principles
rare earth element la
mg<sub>2</sub>si
elastic property
electronic structure
Online Access:http://jme.biam.ac.cn/CN/Y2020/V48/I4/100

Internet

http://jme.biam.ac.cn/CN/Y2020/V48/I4/100

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