Mechanical and Electronic Properties of DNTF Crystals under Different Pressure

In the present study, the effects of pressure on the structure, elastic properties and electronic structure of DNTF compounds are studied using the first principles method. It is found that pressure has a great influence on lattice constants. When the pressure reaches 80 GPa, the structure of DNTF c...

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Bibliographic Details
Main Authors: Hai Nan, Xianzhen Jia, Xuanjun Wang, Heping Liu, Fan Jiang, Peng Zhang
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/11/10/1180