紧束缚近似

利用紧束缚近似下的格林函数方法，讨论了Si中硫属元素混对杂质（即S~0/Se~0，S~0/Te~0和Se~0/Te~0）基态的电子结构。

Using the Green 's function method with a tight binding Hamiltonian , the electronic structures of the ground states of S ~ 0 / Se ~ 0 , S0 / Te0 and Se ~ 0 / Te ~ 0 mixed pairs in Si are investigated .

采用紧束缚近似法对由单苯基分子构成的三端器件的IV特性进行了研究，所得结果近似表现出了MOS（MetalOxideSemiconductor）器件的电学规律；

The Tight-Binding Method is adopted to investigate the I-V characteristics of a three-terminal single-benzene molecular device , with the results well reflecting the electrical characteristics of MOS ( Metal-Oxide-Semiconductor ) devices .

以此为基础，采用以Bethe晶格为边界条件的原子集团格林函数理论，在紧束缚近似下，提出了计算N元无序材料的电子态密度方法。

The method to calculate the density of electronic states of disorder materials using extended Cluster-Bethe-Lattice Green function with a tight-binding Hamiltonian is present in detail .

紧束缚近似解释MgB2超导电性

Explanation above Superconductivity of MgB_2 Base on Tight-binding Approximation

用一维紧束缚近似和格林函数方法研究了金属中的替位杂质对金属Pt与半导体Si所形成界面电子态的影响。

The Green 's function method within tight-bonding approximation is used to investigate the effects of substitutional impurity atom in metal on the Pt-Si interface electronic density of states ( DOS ) .

本文在一维紧束缚近似下，利用格林函数方法和复能积分技术，研究了H在Pt/Si上的化学吸附对Pt/Si界面特性的影响。

The effects of H chemisorption on Pt / Si on the properties of Pt / Si interface are investi-gated by using the Green 's-function method and the complex-energy-plane integration techni-que within the limits of one-dimensional tight-binding approximation .

本文在紧束缚近似下，用CPA方法结合无限级微扰理论讨论了组分调制合金的表面电子结构。

Based on tight-binding approximation , the electronic structure of CMS surfaces is discussed with the CPA method ~ [ 1-4 ] , combined with the infinite order perturbation theory ~ [ 5-7 ] .

在紧束缚近似下发展了一种新的计算方法，计算了闪锌矿结构CdS量子点的电子结构，并与有效质量近似作了比较。

We have developed a new approach to calculate the electronic structure of zinc-blend CdS quantum dots under the frame of tight-binding approximation ( TBA ), which is compared with the effective mass approximation ( EMA ) .

根据能带理论中紧束缚近似方法，用FORTRAN语言编制了适于微机使用的EHMO晶体轨道程序。

On the basis of the tight-binding approach in the energy-band theory , the EHMO crystal orbit program to be used in a microcomputer was compiled in the FORTRAN language .

高分子导电聚合物是宽能带准一维体系，紧束缚近似下的SSH（Su-Schrieffer-Heeger）模型需要加以改进。

The conduction polymers with wide band-width are quasi-one-dimensional systems , but the SSH ( Su-Schrieffer-Heeger ) model based on the tight-binding approximation is need to be improved .

本文在一堆紧束缚近似下，利用Einstein-Schrieffer（ES）的单电子化学吸附理论和格林函数方法，研究了H在载体催化剂Pt/ZnO上的化学吸附能。

The Einstein-Schrieffer 's one-electron chemisorption theory and Green 's function method are used to investigate the chemisorption energy of hydrogen on the supported catalysts Pt / ZnO within the framework of the one-dimensional tight-binding apporximation .

在只计入最近邻间相互作用的紧束缚近似下，计算了由两种面心立方金属组成的多层超薄共格结构（LUCS）的电子能谱和态密度。

The present note gives the results of computations of the electronic energy spectrum and local density of state of layered ultrathin coherent structures composed of two face-cen-tered-cubic metals under the tight-binding approximation with inclusion of only nearest neighbor interactions .

应用格林函数方法在紧束缚近似下研究了氢在担载金属表面的吸附性质。

The adsorption properties of hydrogen on the supported-metal surfaces are investigated using the Green function method within the framework of tight-binding approximation .

在紧束缚近似下，利用转移矩阵法对金属/C2H2/金属结构的分子导线的电子输运性质进行了研究。

The electronic transmission through the molecular wire , metal / C_2H_2 / metal , is studied using a tight-binding model and the transfer-matrix technique .

用紧束缚近似研究了半无限大超导体的表面电子态，得到两支表面态，其中一支是超导体所特有的。

By studying surface electron states of the semi-infinite superconductor in the tight-binding approximation , two branches of surface states are obtained , one of which is unique to the superconducting state .

通常采用含两个耦合参数的紧束缚近似，就能很好地描述光子晶体缺陷因耦合而导致的共振频率分裂。

The resonant frequency splitting caused by photonic crystal ( PC ) defect coupling can be well described by the tight-binding ( TB ) approximation in which only two coupling parameters are used .

采用π电子紧束缚近似方法，对处于稳定磁场中考虑电子自旋情况下的单壁碳纳米管的电子结构进行了理论分析。

Based on the tight-binding model and taking the π electron spin into account , this paper analyzed the electronic structure of the straight single-wall carbon nanotube ( SWNTs ) in a even magnetostatic field .

在紧束缚近似下，计及最近邻的矩阵元，并忽略自洽势的畸变，用格林函数方法计算了简立方纳米晶体颗粒的电子态结构和电子态密度。

The structure and density of electron state in nano simple cubic crystal particles are calculated taking the most adjacent matrix elements into account by means of Green 's function method with the tight-binding approximation .

结果表明，各孤立管能隙值跟紧束缚（TB）近似所推出的结论有很大的出入，但跟实验观测结果比较接近。

Our results are found to differ from those based tight binding ( TB ) but agree with experimental data very well .