A Linear Muffin-Tin Orbital Calculation of Local Electronic and Magnetic Properties of YFe_<10>Mo_2 and YFe_10Mo_2N

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概要

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• Strtrcture and magnetic properties of YFC1OlVIO2 and YFe)gMozN cornpounds have been studiedwith neutron diffraction and self-consistent spin-polarized linear muffin-tin orbital (LlV[TO) bandcalculation. The diffraction results indicate that the nitrogen atoms are located at 2b siteswith nearly 99% occupancy. The electronic structtrre calculations give excellent results for site-dependent Fe magnetic mornents and hyperfine fields. The interstitial-atom effect on the localmagnetic moments and hyperfine fields is explained with magneto-voltume effect and chemicalbonding effect. The contributions of the magneto-volume effect and the chemical bonding effectof the nitrogen to the magnetic moments (p?..), Fermi-contact hyperfine fields (Hp0) and isomershifts (IS) are reported.

• 1998-02-15

著者

• Cui Bo

  Department Of Cardiology Renmin Hospital Of Wuhan University

• Cui Bo

  Department Of Physics Peking University

• YANG Jinbo

  Department of Physics,Peking University

• MAO Weihua

  Department of Physics,Peking University

• YANG Yingchang

  Department of Physics,Peking University

• CHEN Dongfeng

  Institute of Atomic Energy,Academic Sinica

• YANG Jilian

  Institute of Atomic Energy,Academic Sinica

• Gou Cheng

  Institute of Atomic Energy,Academic Sinica

• Gou Cheng

  Institute Of Atomic Energy Academic Sinica

• Yang Jinbo

  Department Of Physics Peking University

• Mao Weihua

  Department Of Physics Peking University

• Chen Dongfeng

  Institute Of Atomic Energy Academic Sinica

• Yang Yingchang

  Department Of Physics Peking University

• YANG Jinbo

  Department of Materials Science and Engineering, Ibaraki University

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