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- W4239332115 abstract "The structural and mechanical properties of CrH and MnH are investigated using first principles calculation based on density functional theory as implemented in VASP code with generalized gradient approximation. The calculated ground state properties are in good agreement with previous experimental and other theoretical results. A structural phase transition from NaCl to NiAs phase at a pressure of 76 GPa is predicted for both CrH and MnH." @default.
- W4239332115 created "2022-05-12" @default.
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- W4239332115 date "2015-01-01" @default.
- W4239332115 modified "2023-09-23" @default.
- W4239332115 title "Investigation of structural stability and elastic properties of CrH and MnH: A first principles study" @default.
- W4239332115 doi "https://doi.org/10.1063/1.4917585" @default.
- W4239332115 hasPublicationYear "2015" @default.
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