ملخص: A theoretical study of structural and electronic properties of MgO, CaO and SrO is presented using the full-potential linearized augmented plane wave method. In this approach, the local density approximation was used for exchange-correlation potentials. Results are given for lattice constant, bulk modulus and its pressure derivative in both NaCl-(B1) and CsCl-(B2) structures. Band structure, density of states and band gap-pressure coefficients in NaCl-(B1) phase are also given. The results are compared with previous calculations and with experimental measurements.

لغة: إنجليزية