first principle calculations were performed using density functional theory within the local spin density approximation (lsda) to understand the electronic properties of au(100)+tbt system and compare the results with au(100) and bulk au properties. band structure, the total dos and charge density for these materials are calculated. we found that the homo for au(100)+tbt becomes broader than au...

by analyzing the zero-field-splitting parameters and of cr2+ (3d4) ion located at tetrahedral site in znse crystal, the local structure distortion and absorption spectra around cr2+ in znse: cr2+ system have been calculated on the basis of the complete energy matrix for the d4 configuration within the strong-filed-representation. it is shown that there exists an expansion distortion in the loca...

Applying renormalization group theory to evaluate the safety of overall structure, local damage probability must be obtained at first. According to the results of unit detection test and numerical simulation, the methods how to determine local damage probability was presented in the paper. For small unit, meaning the unit size is far less than the maximum primitive cell or the structure size, i...

in this paper, the concept of {sl local base with  stratifiedstructure} in $i$-topological vector spaces is introduced. weprove that every $i$-topological vector space has a balanced localbase with stratified structure. furthermore, a newcharacterization of $i$-topological vector spaces by means of thelocal base with stratified structure is given.

graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (lda). band structures and density of states for the propose carbon 3d models are reported. a finite energy gap and...

In this paper, the concept of {sl local base with  stratifiedstructure} in $I$-topological vector spaces is introduced. Weprove that every $I$-topological vector space has a balanced localbase with stratified structure. Furthermore, a newcharacterization of $I$-topological vector spaces by means of thelocal base with stratified structure is given.