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Studies of correlation of molecular structure under preparation conditions for noncrystalline selenium thin films with aid of computer simulation

机译:借助于计算机仿真,对非晶体薄膜制备条件下分子结构的相关性研究

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We investigate short range and medium range order (MRO) in arrangement of atoms in non-crystalline semiconductors. It is shown that dependence of properties of non-crystalline semiconductors on their pre-hystoric period is determined by modifications in MRO in atoms arrangement. With the help of experimental research of non-crystalline selenium and computer simulation it was shown that as a quantitative criterium for the modifications of MRO of the material it is recommended to use energy characteristics: the total potential energy of the system and its various components.
机译:我们调查非晶体半导体中原子排列的短程和中范围顺序(MRO)。结果表明,非结晶半导体在其预干燥时期的性质的依赖性由原子布置中的MRO修饰确定。借助于非晶体硒和计算机模拟的实验研究,结果表明,作为用于改进材料的MRO的定量标准,建议使用能量特性:系统的总势能及其各种部件。

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