Theoretical investigation of Zr2PbC, (V0.25Zr0.75)2PbC, (V0.5Zr0.5)2PbC, V0.75Zr0.25)2PbC, and V2PbC MAX phases: a DFT based study

Theoretical investigation of Zr2PbC, (V0.25Zr0.75)2PbC, (V0.5Zr0.5)2PbC, V0.75Zr0.25)2PbC, and V2PbC MAX phases: a DFT based study

The structural, elastic, and electronic properties of new nanolaminates (V0.25Zr0.75)2PbC, (V0.5Zr0.5)2PbC, (V0.75Zr0.25)2PbC, and V2PbC are investigated for the first time by applying density functional theory. These properties are investigated at different V and Zr concentrations in Zr2PbC at ambi...

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Bibliographic Details
Main Authors: Ahams, S. T., Shaari, A., Ahmed, R., Abdul Pattah, N. F., Idris, M. C., Ul Haq, Bakhtiar
Format: Article
Published: Elsevier Ltd 2021
Subjects:
QC Physics
Online Access:http://eprints.utm.my/id/eprint/94096/
http://dx.doi.org/10.1016/j.mtcomm.2021.102397
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Institution: Universiti Teknologi Malaysia

Internet

http://eprints.utm.my/id/eprint/94096/
http://dx.doi.org/10.1016/j.mtcomm.2021.102397

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