Deformation Modes and Anisotropy of Anti-Perovskite Ti3AN (A = Al, In and Tl) from First-Principle Calculations
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DOI: 10.3390/ma10040362
Abstract: Deformation modes were studied for Ti3AN (A = Al, In and Tl) by applying strain to the materials using first-principle calculations. The states of the bonds changed during the deformation process, and the Ti-N bonds… read more here.
Keywords: principle calculations; deformation modes; first principle; perovskite ti3an ... See more keywords