Search Results - ZHENG Xinxi

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  1. 1
    The Electron Spin and Magnetic Properties of Cluster Fe3Ni3

    The Electron Spin and Magnetic Properties of Cluster Fe3Ni3 by ZHENG Xinxi, FANG Zhigang, WANG Qian, XU You, JING Runtian

    Published 2023-08-01

    In order to explore the electron spin and magnetic properties of amorphous alloy Fe-Ni binary system, and provide theoretical support for its macroscopic excellent magnetic properties, the cluster Fe3 Ni3 was designed as a local structure model. Based on density functional theory, full parameter opt...

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  2. 2
    Cluster：Theoretical Study on the Paramagnetic Properties of Cluster CrPS4

    Cluster：Theoretical Study on the Paramagnetic Properties of Cluster CrPS4 by LIU Li′e, FANG Zhigang, HOU Qianqian, L Mengna, ZHENG Xinxi, WANG Qian

    Published 2023-04-01

    In order to explore the paramagnetic properties of CrPS4 at a temperature of 298.15K, and to contribute theoretical basis for subsequent research and applications. The article is based on density functional theory, using B3LYP functional and def2-tzvp basis set, using Gaussian09 quantum chemistry...

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