A tetragonal high-pressure phase of PtAs2

A tetragonal high-pressure phase of PtAs2

A tetragonal high-pressure phase of PtAs2 with I4/mmm symmetry was first discovered above 90 GPa by using first principle swarm intelligence structure search technique. The first order structure transition character of PtAs2 from the ambient-pressure cubic pyrite phase to this tetragonal HP phase wa...

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Bibliographic Details
Main Authors: Duohui Huang, Lei Chen, Jia Zhang, Peifang Li, Qun Wei, Meiguang Zhang
Format: Article
Language:English
Published: Elsevier 2021-05-01
Series:Results in Physics
Subjects:
High-pressure
Firstprinciples
PtAs2
Structure prediction
Electronic structure
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379721003351

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http://www.sciencedirect.com/science/article/pii/S2211379721003351

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