The valence electron structures of Al2Ca and Mg2Ca, and the interface electron structures of Al2Ca(111)//α-Mg( 112 1), Mg2Ca(001)//α-Mg(0001) are calculated and analyzed based on the empirical electron theory of solids and molecules and an improved Thomas-Fermi-Dirac(TFD) theory.

EET and Cheng s improved TFD theory,the conception and the calculation methods of plane valence electron structure is defined and established,and the mathematic expression of relative electron density difference△ρof phase interface is proposed.

Calculation of the valence electron structures of the biphase interfaces with V,Nb,Mo in α_2 alloy and investigation on the toughening mechanism of β phase;

The relationship of valence electron structure and multiple isomorphous replacement of Montmorillonite;

Relationship between ionic conductivity and valence electron structure of LaGaO_3 based ceramics;

PAN-based carbon fibers of high stuength and high modulus are meusurd using high-temperature in situ X-ray diffraction,the changing relations of C--C bond length(a 0) on hexagonal carbon layer and interlayer spacing(d 002 ) of turbostatic structure with temperature are given,and the relations between the changing reules and valence electronic structure are discussed in the present work.

Analysis of valence electron structures and calculation of magnetic properties of Nd_2Fe_(14)B;

The changes of valence electron structures parameters (nA, σ and ρ) and atomic state parameters (nT, nc and nl) are analyzed.

According to empirical electron theory of solid and molecules and the modified TFD theory,the valence electron structures of phase space and interface in different component tungsten alloys were calculated.