First principles calculation of mechanical, dynamical and thermodynamic properties of MnO2 with four crystal phases

Title
First principles calculation of mechanical, dynamical and thermodynamic properties of MnO2 with four crystal phases
Authors
Keywords
MnO, 2, Crystal phase, DFT, Lattice dynamics, Mechanics properties
Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 852, Issue -, Pages 157007
Publisher
Elsevier BV
Online
2020-09-06
DOI
10.1016/j.jallcom.2020.157007

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