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Geometric, electronic and vibrational properties of the most stable and energetically favourable configurations of indium oxide clusters InmOn (1 ≤ m, n ≤ 4) are investigated using density functional theory. The lowest energy geometries prefer the planar arrangement of the constituent atoms with a trend to maximize the number of ionic In-O bonds. Due to the charge transfer from In to O atoms, the electrostatic repulsion occurs between the atoms with the same kind of charge. The minimization of electrostatic repulsion and the maximization of In-O bond number compete between each other and determine the location of the isometric total energy. The most stable linear In-O-In-O structure of In2O2 cluster is attributed to the reduced electrostatic repulsive energy at the expense of In-O bond number, while the lowest energy rhombus-like structure of In2O3 cluster reflects the maximized number of In-O bonds. Furthermore, the vibrational frequencies of the lowest energy clusters are calculated and compared with the available experimental results. The energy gap and the charge density distribution for clusters with varying oxygen/indium ratio are also discussed. 相似文献
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利用Si(001)向[110]方向偏4°角的斜切表面作为衬底,成功地制备了分布均匀的单畴的单原子In链阵列.扫描隧道显微镜分析表明,沉积的In原子优先吸附在台面上沿着台阶内边缘的位置,并在两个Si的二聚体链之间形成稳定的In二聚体.In二聚体组成直的单原子链,其生长机理与Car提出的“表面聚合反应”相一致.另外,衬底具有非常窄的台面和双原子层台阶边的特殊结构是形成单畴的单原子链的关键.
关键词:
铟单原子链
硅邻近面
扫描隧道显微镜 相似文献
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Spontaneous Josephson spin current in triplet superconductor/ferromagnet/triplet superconductor junctions 下载免费PDF全文
This paper theoretically studies Josephson spin current through triplet superconductor/ferromagnet/triplet superconductor junctions.At the ferromagnet/superconductor interfaces,the ferromagnetic scattering potential gives rise to coupling between the Andreev bound states and lifts their spin degeneracy.These spin-split Andreev states carry the Josephson spin current through the junctions.The generated spin supercurrent can be controlled by the magnetization of a ferromagnetic thin layer and bias voltage across the junctions. 相似文献
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Periodic nanostripe arrays are observed on In/Si(113) surface using scanning tunneling microscopy. The stripe superstructures are identified as N × 1 reconstructions elongating in [211] or [121] direction and consisting of one vacancy line, one Si adatom row, and N - 2 In rows, in which N = 5 is predominant. The vacancy line formation relieves the strain induced by the Si adatom row and In rows, and plays an important role in stabilizing the stripe structures. The stability of nanostripe structures is demonstrated by analyzing the strain-mediated interaction of vacancy lines in the framework of the Frenkel-Kontorova model, which indicates that the predominant vacancy line period of N = 5 corresponds to the minimum Frenkel Kontorova energy. 相似文献
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STM observation of pit formation and evolution during the epitaxial growth of Si on Si(001) surface 下载免费PDF全文
Pit formation and surface morphological evolution in Si(001) homoepitaxy are investigated by using scanning tunneling microscopy. Anti-phase boundary is found to give rise to initial generation of pits bound by bunched D B steps. The terraces break up and are reduced to a critical nucleus size with pit formation. Due to anisotropic kinetics, a downhill bias diffusion current, which is larger along the dimer rows through the centre area of the terrace than through the area close to the edge, leads to the prevalence of pits bound by {101} facets. Subsequent annealing results in a shape transition from {101}-faceted pits to multi-faceted pits. 相似文献
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