Gorkavenko T. Temperature influence on the electronic structure in volume and on the surface of diamond, sphalerite and wurtzite types crystals

Thesis is devoted to theoretical investigations and numerical calculations of temperature influence on properties of electronic structure in volume and on the surface of diamond, sphalerite and wurtzite types crystals. The investigations were carried out by self-consistent pseudopotential method. General laws of temperature dependence of one-electron levels of main interband transitions and electronic state density in hexagonal crystals GaN, AlN, ZnS, ZnSe, ZnTe, CdTe, ZnO were determined. It was investigated band structure, local electronic density of states (full and layer-resolved), the 3D-map and contoured map of charge density distribution of valence electrons were constructed for polar surface (111) of some crystals of А2В6, А3В5 types. It was investigated temperature dependence of some electronic properties of (111) Si surface in the temperature range 0 - 600 K. The numerical calculations were carried out by self-consistent pseudopotential method within bounds of the layered superlattice model. Obtained results can be used in micro- and optoelectronic devices such as standard measures, generators of the nano- and subnanosecond pulses, light-emitting diodes et al.