Self-Consistent Symmetrized Relaticistic Augmented Plane Wave Method : Application to α-U

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概要

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• By applying to Loucks' theory the technique of the bispinor-type projectionoperator constructed with the double multiplier representations for non-symmorphicspace groups, we obtain a symmetrized relativistic APW method for a calculation ofthe electronic structures in actinides. A self-contained description is given of a selfconsistent band structure theory which is based on this method and the local-densityapproximation to the exchange-correlation potential. The method is applied to an investigation of the energy band structure, the density of states and the Fermi surface incr-U. The Fermi surface consists of various hole and electron sheets in four bandswith strong 5f character. With small modifications, these Fermi surface sheets areshown to explain reasonably well the angular dependence of the de Haas-van Alpheneffect observed in cc-U.band theory, Fermi surface, density of states, a-U

• 社団法人日本物理学会の論文
• 1990-07-15

著者

• YAMAGAMI Hiroshi

  Graduate School of Science, Tohoku University

• Hasegawa Akira

  College of General Education, Niigata University

• Yamagami Hiroshi

  Graduate School Of Science And Technology Niigata University

• Hasegawa Akira

  College Of Engineering Chiba University

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