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    題名: Magnetism and mechanical stability of α-iron
    作者: Hsueh, H. C.;Crain, J.;Guo, G. Y.;Chen, H. Y.;Lee, C. C.;Chang, K. P.;Shih, H. L.
    日期: 2002-08
    上傳時間: 2019-10-15 12:11:16 (UTC+8)
    摘要: Ab initio electronic structure calculations employing the fixed-spin moment procedure and the generalized gradient correction are used to explore the mechanical stability of α-iron and related magnetic materials, including body-centered-cubic cobalt and ziconium. The mechanical stability is found to depend sensitively on the magnetization. At relatively low values of the magnetization, specific vibrational and elastic instabilities are identified and are interpreted in terms of the behavior of the electronic density of states at the Fermi level. These results also raise the possibility of influencing the stability of bulk magnetic phases by external fields.
    關聯: Phys. Rev. B 66(5), 052420
    DOI: 10.1103/PhysRevB.66.052420
    顯示於類別:[物理學系暨研究所] 期刊論文


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