First-Principles Study of High-Pressure Phase Stability and Electron Properties of Be-P Compounds
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DOI: 10.3390/ma15031255
Abstract: New, stable stoichiometries in Be-P systems are investigated up to 100 GPa by the CALYPSO structure prediction method. Along with the BeP2-I41/amd structure, we identify two novel compounds of Be3P2-P-421m and Be3P2-C2/m. It should be… read more here.
Keywords: pressure; 421m be3p2; structure; first principles ... See more keywords