Atomic Structure, Electronic, and Mechanical Properties of Pyrophyllite under Pressure: A First-Principles Study

Atomic Structure, Electronic, and Mechanical Properties of Pyrophyllite under Pressure: A First-Principles Study

Pyrophyllite is extensively used in the high-pressure synthesis industry as a pressure-transmitting medium because of its outstanding pressure transmission, machinability, and insulation. Therefore, the atomic structure, electronic, and mechanical behavior of pyrophyllite [Al<sub>4</sub>...

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Bibliographic Details
Main Authors: Xinzhan Qin, Jian Zhao, Jiamin Wang, Manchao He
Format: Article
Language:English
Published: MDPI AG 2020-09-01
Series:Minerals
Subjects:
pyrophyllite
first-principles calculations
mechanical properties
atomic structure
electronic property
Online Access:https://www.mdpi.com/2075-163X/10/9/778

Internet

https://www.mdpi.com/2075-163X/10/9/778

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