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Phenomenological interatomic potentials for silicon, germanium and their binary alloy



Vinod K. Tewary


A phenomenological potential is constructed for interatomic interactions in silicon, germanium, and their binary alloy. The potential is based upon the same physical principles as the modified embedded atom potential (MEAM) but is different in details and implementation, particularly in the radial part. It has seven adjustable parameters in contrast to 10 or more in MEAM. The potential gives perfect fit with the measured values of seven most important quantities for characterizing strained silicon: cohesive energy, equilibrium lattice constant, unrelaxed vacancy formation energy, Raman frequency, and the three elastic constants. The potential should therefore be suitable for modeling strained silicon.
Physics Letters A


elastic constants, germanium, interatomic potential, modified embedded atom model, silicon
Created October 17, 2011, Updated November 10, 2018