First-principles calculations to investigate pressure effect on mechanical and thermal properties of ZrAl2

Publication date: Available online 26 May 2021Source: Computational and Theoretical ChemistryAuthor(s): M. Tang, Z.C. Rong, F.X. Li, J.H. Yi, J. Eckert, Y.C. Liu

Source: Computational and Theoretical Chemistry - May 26, 2021 Category: Chemistry Source Type: research