Van der Waals Density Functional Theory vdW-DFq for Semihard Materials

There are a large number of materials with mild stiffness, which are not as soft as tissues and not as strong as metals. These semihard materials include energetic materials, molecular crystals, layered materials, and van der Waals crystals. The integrity and mechanical stability are mainly determin...

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Bibliographic Details
Main Authors: Qing Peng, Guangyu Wang, Gui-Rong Liu, Suvranu De
Format: Article
Language:English
Published: MDPI AG 2019-05-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/9/5/243