نتایج جستجو برای: electronic structure
تعداد نتایج: 1750492 فیلتر نتایج به سال:
We have calculated the electronic structure of Sr2RuO4 using the full potential linearized augmented plane wave method in the spin polarized local density approximation. By this calculation, we identify the contribution of different electronic states near Fermi surface and study some electronic parameters like crystal electric field, exchange splitting, and hybridization between different atoms...
In this study, we investigated the spin dependent electronic transport of a fishbone-like nanostructure including two magnetic atoms at its ends. The electronic conductance of this nanostructure for three different orientations of atomic magnetic moments was numerically studied when the structure was sandwiched between two nonmagnetic leads. By using Green’s function technique at the tight-bind...
چکیده ندارد.
Fei Chen,1 Bo Zhou,1 Yan Zhang,1 Jia Wei,1 Hong-Wei Ou,1 Jia-Feng Zhao,1 Cheng He,1 Qing-Qin Ge,1 Masashi Arita,2 Kenya Shimada,2 Hirofumi Namatame,2 Masaki Taniguchi,2 Zhong-Yi Lu,3 Jiangping Hu,4 Xiao-Yu Cui,5 and D. L. Feng1,* 1Department of Physics, Surface Physics Laboratory (National Key Laboratory), and Advanced Materials Laboratory, Fudan University, Shanghai 200433, People’s Republic o...
In the last few years a number of self-consistent band calculations appeared in the literature. Many of them were dealing with pure elements' and several others with compounds. In the area of transition-metal compounds the calculations which have been reported until recently were for materials in which the one component is a transition metal and the other C, N, and O. We now present a selfconsi...
III. Homonuclear Diatomics: Second-Row Elements 14 A. The diatomic boron molecule 16 1. Σg state 16 2. Σg state 19 B. The diatomic oxygen and carbon molecules in their lowest states 20 1. O2 20 2. Reflection symmetry 21 3. Electron repulsion 23 4. MCSCF calculations for O2 24 5. The C2 molecule 25 C. Spectroscopic notation for diatomic molecules 28 D. States of other homonuclear diatomic molecu...
The stabilized zirconia with different Cu contents synthesized via sol- gel method. The samples were prepared by hydrolysis and condensation of orgnomatelic sol. After that the result gels were dried at 80 °C and then calcined at various temperatures. ِ The differential thermal analysis (DTA), X-ray diffraction (XRD), field emission scanning electronic microscopy (FESEM) and transmission el...
چکیده ندارد.
A computational study of the electronic structure and stability of complexes formed between Zeolite Y and boric acid was carried out at the HF and B3LYP levels using 6-31G* basis set. Five structures located as local minimum in PES of complex (structures d, e, f, g, and h). The most stable structure is formed due to hydrogen bonding between two hydroxyl of boric acid and both oxygen of ...
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