Theoretical Study on Electronic, Optical Properties and Hardness of Technetium Phosphides under High Pressure

Theoretical Study on Electronic, Optical Properties and Hardness of Technetium Phosphides under High Pressure

In this paper, the structural properties of technetium phosphides Tc3P and TcP4 are investigated by first principles at zero pressure and compared with the experimental values. In addition, the electronic properties of these two crystals in the pressure range of 0–40 GPa are investigated. Further, w...

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Bibliographic Details
Main Authors: Shiquan Feng, Xuerui Cheng, Xinlu Cheng, Jinsheng Yue, Junyu Li
Format: Article
Language:English
Published: MDPI AG 2017-06-01
Series:Crystals
Subjects:
density functional theory
hardness
electronic property
optical properties
Online Access:http://www.mdpi.com/2073-4352/7/6/176

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