The full potential linearized augmented plane wave method within the generalized gradient approximation was used to calculate electronic structure of ferroelectric and paraelectric KTa0.5Nb0.5O3. We calculated the density of states and band structure.
Polycrystalline ZnTe/Cd1-xZnxTe and ZnTe/ZnTe: Cu films are used as buffer layer separately, as modification of the energy band diagram, improvement of the energy band structure, also preventing cu atom diffusing into the cells.
In order to understand the ferroelectricity of PbZr_(0.5)Ti_(0.5)O_3,the density of states,charge density distribution and band structure are calculated.
Effects of dimensional factors in the element substitution on the crystal structure and superconductivity of TI system superconductors were systematically summarized and analyed. The effect of the lattice deformation on band structure and carrier concentration were discussed
Polycrystalline ZnTe/Cd1-xZnxTe and ZnTe/ZnTe: Cu films are used as buffer layer separately, as modification of the energy band diagram, improvement of the energy band structure, also preventing cu atom diffusing into the cells.
The properties of CdTe/CdS heterojuntion solar cell were theoretically instigated. The results showed that the energy band structure of CdTe/CdS heterojuntion can be changed by the variation only for changed of doped density of CdTe and CdS.
The different physical models were used for various energy band structures. There is a kick point from the gain J V characteristics of CdTe/CdS heterojunction,and the position of the kick point depends on the energy band structure.
The full potential linearized augmented plane wave method within the generalized gradient approximation was used to calculate electronic structure of ferroelectric and paraelectric KTa0.5Nb0.5O3. We calculated the density of states and band structure.
Polycrystalline ZnTe/Cd1-xZnxTe and ZnTe/ZnTe: Cu films are used as buffer layer separately, as modification of the energy band diagram, improvement of the energy band structure, also preventing cu atom diffusing into the cells.
In order to understand the ferroelectricity of PbZr_(0.5)Ti_(0.5)O_3,the density of states,charge density distribution and band structure are calculated.
Effects of dimensional factors in the element substitution on the crystal structure and superconductivity of TI system superconductors were systematically summarized and analyed. The effect of the lattice deformation on band structure and carrier concentration were discussed
On the basis of this, the LiM_xMn_(2-x)O_4 (x=0~0.5) cathode materials were prepared and their structure and electrochemical performance were investigated in detail. Meanwhile, the electrode dynamics, electronic structure and the effects of substituted metal ions on the open circuit potential of LiM_xMn_(2-x)O_4 electrode were theoretically explored.
2、 Our first-principles calculations, for the first time, give the geometry and electronic structures of LiCoO_2 2×2 (003) polar surfaces from theory. Furthermore, one possible reconstructed model has been put forward for the LiCoO_2 (003) polar surfaces, which refers to the future studies for the real LiCoO_2 surface shape. That is to say, the free energy of other configuration should be smaller than that of the model mentioned above.
The principle of operation of a semiconductor gas sensor of resistive type is considered, and main band structure parameters sensitive to the gas phase composition are determined.
Depending on the wave intensity and polarization, such a band structure describes both bound particle-wave states (capture) and states in the continuous spectrum.
The results of experimental investigations and computer modeling of the magneto-oscillations of the capacitance of surface layers with a two-dimensional gas in the narrow-gap semiconductor HgCdTe with direct and inverted band structure are compared.
A model of the energy band structure of iron borate (FeBO3) is proposed that combines a one-electron description of the sp states of boron and oxygen with a many-electron description of the d states of iron.
The electron structure of ZrO2 is experimentally determined using X-ray and UV photoelectron spectroscopy, and the electron energy band structure is theoretically calculated using electron density functional method.
This is explained, first, by special features of the energy band structure and, second, by the form of the energy dependence of the density of states in the conduction band of LiF crystals.
A new fabrication technology of the multialkali photocathode of[Cs,Rb]Na_2KSb structure is reported.Photoelectronemissive mechanism of the photocathode filmsis discussed and a new structure model of energy bands at the surface of [Cs,Rb]Na_2 KSbis proposed.
Three dimensional EHMO crystral orbital calculations for crystalline C60>K3C60 and Rb3C60,, are reported. The ground states of undoped solid C60 is found to be insulating with a direct energy gap of 1. 7eV at P. In contrast ,K3C60 and Rb3C60 forms a metallic conducting phase with a set of three half-filled bands crossing the Fermi level which isrfound to be located close to a peak of the density of state. The character of crystal orbitals near the Fermi level for both K3C60 and Rb3C60 is completely carbon-l...
With the increasingly wide use of solar energy,photo-electric conversion efficiency is more and more interested.The efficiency of photo-electric conversion is one of the main subjects in this field.As is known to all,not all the semiconductor materials can be made into solar cells with high efficiency.Energy band structures vary with different materials and so does the absorption of solar spectrum.This paper discusses the effect of energy band structure on photo-carrier transition;the relationship among ene...
能带结构
band structure 
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