STRUCTURAL AND ELECTRONIC-PROPERTIES OF SRS, SRSE, AND SRTE UNDER PRESSURE

The electronic band structure and the total energy of SrX (X = S; Se, Te) in NaCl-type and CsCl-type structures were studied rising the tigh t binding linear muffin-tin orbital method, The calculated ground stat e properties such as lattice constant and hulk modulus are in agreemen t with the experimental values. The transition pressures and volumes a lso agree,well with the experimental results. The energy gap at ambien t conditions were calculated. The metallization pressures and volumes have also been estimated.