T. Sengstag et al., ANOMALIES IN THE PRESSURE-DEPENDENCE OF THE EFFECTIVE CHARGE IN CUBICSEMICONDUCTORS, Physical review. B, Condensed matter, 52(12), 1995, pp. 8613-8616
We have investigated the effect of hydrostatic pressure on the Born ef
fective charge of tetrahedral semiconductors by means of first-princip
les pseudopotential calculations. In agreement with recent experiments
, we find that the effective charge of IV-IV compounds, such as SiC, i
ncreases in magnitude with pressure, whereas that of III-V compounds d
ecreases. We explain this behavior in terms of conflicting effects ass
ociated with the lattice-constant variation of the long- and short-ran
ge components of the crystal potential. We show that an analogous anom
aly exists in the pressure dependence of the bond polarity, as measure
d by the asymmetry of the static valence charge.