High pressure phase transition and anharmonic properties of Zn1-xMxSe (M = Cd, Fe and Mn) diluted magnetic semiconductor

The present work employs interionic potential approach based on charge transfer effect to calculate and describe the high pressure phase transition and elastic behaviour of the diluted magnetic semiconductors Zn1-xMxSe (M = Cd, Fe and Mn). We have obtained a reasonably good agreement between present calculated values and experimentally observed data on the phase transition pressures. The volume collapses and high pressure behaviours are also in reasonably good agreement with the available data for all compounds under consideration. The variations of elastic constants and their combinations with pressure follow a systematic trend, identical to that observed in other compounds of zinc blende structure family. The present approach has also succeeded in predicting the Born and relative stability criteria. (C) 2003 Elsevier B.V. All rights reserved.