Effective pair potential and structural phase transitions of Cr, Mo, and W
作者： N. Singh
关键词: Binding energy 、 Phonon 、 Volume (thermodynamics) 、 Tungsten 、 Bulk modulus 、 Transition metal 、 Thermodynamics 、 Chromium 、 Pair potential 、 Materials science
摘要: A fast-converging transition-metal pair potential is used to interpret the structural phase transitions of Cr, Mo, and W under pressure. The bcc structure at equilibrium found be most stable for these three metals. elastic constants, bulk modulus, binding energy, phonon frequencies metals observed volume are also calculated. calculated values experimental results agree within 15-20%, with a few exceptions
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