Publication Date:
2018-11-09
Description:
Author(s): Igor Mosyagin, Davide Gambino, Davide G. Sangiovanni, Igor A. Abrikosov, and Nuala M. Caffrey There are several approaches to the description of van der Waals (vdW) forces within density functional theory. While they are generally found to improve the structural and energetic properties of those materials dominated by weak dispersion forces, it is not known how they behave when the material ... [Phys. Rev. B 98, 174103] Published Thu Nov 08, 2018
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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