Structural, Mechanical, Anisotropic, and Thermal Properties of AlAs in oC12 and hP6 Phases under Pressure

Structural, Mechanical, Anisotropic, and Thermal Properties of AlAs in oC12 and hP6 Phases under Pressure

The structural, mechanical, anisotropic, and thermal properties of oC12-AlAs and hP6-AlAs under pressure have been investigated by employing first-principles calculations based on density functional theory. The elastic constants, bulk modulus, shear modulus, Young’s modulus, B/G ratio, and...

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Bibliographic Details
Main Authors: Wei Zhang, Changchun Chai, Yanxing Song, Qingyang Fan, Yintang Yang
Format: Article
Language:English
Published: MDPI AG 2018-05-01
Series:Materials
Subjects:
oC12 phase-AlAs
hP6 phase-AlAs
mechanical properties
anisotropic properties
thermal properties
Online Access:http://www.mdpi.com/1996-1944/11/5/740

Internet

http://www.mdpi.com/1996-1944/11/5/740

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