Bv. Novysh et al., CALCULATION OF THE ELECTRON-ION INTERACTION-POTENTIAL COMPONENTS LINEAR AND QUADRATIC IN THE ION DISPLACEMENTS FOR YBA2CU3O7, Physics of the solid state, 39(8), 1997, pp. 1174-1177
A simple method is proposed to calculate the component of electron int
eraction potential with the ionic subsystem of a crystal quadratic in
ionic displacement. The electron-ion interaction potential is calculat
ed for the high-frequency A(g) modes in YBa2Cu3O7. The important role
of the Madelung potential, which results in violation of the selection
rules valid in the rigid muffin-tin approximation, is pointed out. Th
e quadratic component of the potential can greatly affect the calculat
ed matrix elements which correspond to electronic transitions involvin
g absorption or emission of zero wave-vector phonons. (C) 1997 America
n Institute of Physics.