An ab initio prediction study of the electronic structure and elastic properties of V3GeC2

An ab initio prediction study of the electronic structure and elastic properties of V3GeC2

The electronic structure and elastic properties of the ternary layered carbide V3GeC2 were investigated by the first-principle plane-wave pseudopotential total energy calculation method based on density functional theory. It is found that the computed P63/mmc lattice constants and internal coordinat...

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Bibliographic Details
Main Authors: Guobing Ying, Fengchen Ma, Lin Su, Xiaodong He, Cheng Zhang, Zhonghua Dai, Hong Luo, Shanyi Du, Cheng Wang
Format: Article
Language:English
Published: University of Novi Sad 2017-06-01
Series:Processing and Application of Ceramics
Subjects:
V3GeC2
first-principle calculation
electronic structure
elastic properties
Online Access:http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2036%2001.pdf

Internet

http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2036%2001.pdf

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