Be appreciated that the nature of various physical properties of solid

Magnesium diboride, anatase, magnesium oxide, strontium and cubic boron nitride superhard material with its excellent chemical and physical properties caused engaged in experimental, theoretical research physicists and geophysicists attention. In this thesis, magnesium diboride, anatase, magnesium oxide, strontium and cubic  cubic boron nitride superhard material elasticity and thermodynamic properties were investigated. The solid electron microscopic study of the structure, we can understand the nature of various physical properties of solid. Solid by a large number of atoms, each atom nuclei and electrons have, in principle, to directly solve the many-particle system equation is unrealistic, you must use some  synthetic diamond and simplification. In the study, magnesium diboride, anatase using molecular dynamics and empirical potential method of combining; on magnesium oxide, strontium and cubic boron nitride superhard materials research, using the first-principles. For our study, strontium oxide, magnesium oxide and alkaline earth metal oxides at room temperature under atmospheric pressure the elastic constants of the proposed all-electron basis set;