The behaviour of electron valence and conduction charge densities in InP under pressure

The electronic valence and conduction charge densities at the Gamma and X k-points are calculated as a function of position in the unit cell for InP in the zinc-blende structure at various hydrostatic pressures ranging from 0 up to 100 kbar using wave functions derived from empirical pseudo-potential band-structure calculations. Detailed plots of the charge density along the [1 1 1] direction and in the (1 1 0) plane at different pressures are presented for the total valence bands and the first and second conduction ones. It is found that even the studied electronic charge densities are sensitive to the effect of hydrostatic pressure; their shape remains the same as at ambient pressure. Trends in bonding and ionicity under pressure are also discussed. (C) 2000 Elsevier Science S.A. All rights reserved.