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The band structures calculated by the extended Hückel method differ considerably in their ζ-parameters and whether it includes 3d-orbital of sulfur atoms or not: both the hole-like and electron-like closed Fermi surfaces are obtainable by the methods of ref. 5, single ζ, including 3d, Fig. 10 in this paper
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16 The band structures calculated by the extended Hückel method differ considerably in their ζ-parameters and whether it includes 3d-orbital of sulfur atoms or not: both the hole-like and electron-like closed Fermi surfaces are obtainable by the methods of T. Mori et al. (ref. 5, single ζ, including 3d, Fig. 10 in this paper), R. Ramakumar, Y. Tanaka and K. Yamaji, Phys. Rev. B, 1997,56, 795, single ζ, excluding 3d, and M.-H.Whangbo, J. M.Williams, P. C. W. Leung, M. A. Beno, T. J. Emge and H. H.Wang, Inorg. Chem., 1985, 24, 3500, double ζ, excluding 3d, though the shapes of the corresponding Fermi surfaces aredifferent to each other; no Fermi surfaces were obtainable by themethods of A. J. Berlinsky, J. F. Carolan and L. Weiler, SolidState Commun., 1974, 15, 795, double ζ, including 3d; quasi-one-dimensional Fermi surfaces are obtained by the method ofR. Kato, Y.-L. Liu, H. Sawa, S. Aonuma, A. Ichikawa,H. Takahashi and N. Mori, Solid State Commun., 1995, 94, 973,single ζ, excluding 3d.
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Mori, T.1
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0000983478
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single ζ, excluding 3d
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16 The band structures calculated by the extended Hückel methoddiffer considerably in their ζ-parameters and whether it includes3d-orbital of sulfur atoms or not: both the hole-like and electron-like closed Fermi surfaces are obtainable by the methods of T. Mori et al. (ref. 5, single ζ, including 3d, Fig. 10 in this paper), R. Ramakumar, Y. Tanaka and K. Yamaji, Phys. Rev. B, 1997, 56, 795, single ζ, excluding 3d, and M.-H.Whangbo, J. M.Williams, P. C. W. Leung, M. A. Beno, T. J. Emge and H. H.Wang, Inorg. Chem., 1985, 24, 3500, double ζ, excluding 3d, though the shapes of the corresponding Fermi surfaces aredifferent to each other; no Fermi surfaces were obtainable by themethods of A. J. Berlinsky, J. F. Carolan and L. Weiler, SolidState Commun., 1974, 15, 795, double ζ, including 3d; quasi-one-dimensional Fermi surfaces are obtained by the method ofR. Kato, Y.-L. Liu, H. Sawa, S. Aonuma, A. Ichikawa,H. Takahashi and N. Mori, Solid State Commun., 1995, 94, 973,single ζ, excluding 3d.
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0001680508
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double ζ, excluding 3d
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16 The band structures calculated by the extended Hückel methoddiffer considerably in their ζ-parameters and whether it includes3d-orbital of sulfur atoms or not: both the hole-like and electron-like closed Fermi surfaces are obtainable by the methods of T. Mori et al. (ref. 5, single ζ, including 3d, Fig. 10 in this paper), R. Ramakumar, Y. Tanaka and K. Yamaji, Phys. Rev. B, 1997,56, 795, single ζ, excluding 3d, and M.-H.Whangbo, J. M. Williams, P. C. W. Leung, M. A. Beno, T. J. Emge and H. H. Wang, Inorg. Chem., 1985, 24, 3500, double ζ, excluding 3d, though the shapes of the corresponding Fermi surfaces aredifferent to each other; no Fermi surfaces were obtainable by themethods of A. J. Berlinsky, J. F. Carolan and L. Weiler, SolidState Commun., 1974, 15, 795, double ζ, including 3d; quasi-one-dimensional Fermi surfaces are obtained by the method ofR. Kato, Y.-L. Liu, H. Sawa, S. Aonuma, A. Ichikawa,H. Takahashi and N. Mori, Solid State Commun., 1995, 94, 973,single ζ, excluding 3d.
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24
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0016101491
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though the shapes of the corresponding Fermi surfaces are different to each other; no Fermi surfaces were obtainable by the methods of double ζ, including 3d
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16 The band structures calculated by the extended Hückel methoddiffer considerably in their ζ-parameters and whether it includes3d-orbital of sulfur atoms or not: both the hole-like and electron-like closed Fermi surfaces are obtainable by the methods of T. Mori et al. (ref. 5, single ζ, including 3d, Fig. 10 in this paper), R. Ramakumar, Y. Tanaka and K. Yamaji, Phys. Rev. B, 1997,56, 795, single ζ, excluding 3d, and M.-H.Whangbo, J. M.Williams, P. C. W. Leung, M. A. Beno, T. J. Emge and H. H.Wang, Inorg. Chem., 1985, 24, 3500, double ζ, excluding 3d, though the shapes of the corresponding Fermi surfaces are different to each other; no Fermi surfaces were obtainable by the methods of A. J. Berlinsky, J. F. Carolan and L. Weiler, Solid State Commun., 1974, 15, 795, double ζ, including 3d; quasi-one-dimensional Fermi surfaces are obtained by the method ofR. Kato, Y.-L. Liu, H. Sawa, S. Aonuma, A. Ichikawa,H. Takahashi and N. Mori, Solid State Commun., 1995, 94, 973,single ζ, excluding 3d.
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quasi-one-dimensional Fermi surfaces are obtained by the method of single ζ, excluding 3d
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16 The band structures calculated by the extended Hückel methoddiffer considerably in their ζ-parameters and whether it includes3d-orbital of sulfur atoms or not: both the hole-like and electron-like closed Fermi surfaces are obtainable by the methods of T. Mori et al. (ref. 5, single ζ, including 3d, Fig. 10 in this paper), R. Ramakumar, Y. Tanaka and K. Yamaji, Phys. Rev. B, 1997,56, 795, single ζ, excluding 3d, and M.-H.Whangbo, J. M.Williams, P. C. W. Leung, M. A. Beno, T. J. Emge and H. H.Wang, Inorg. Chem., 1985, 24, 3500, double ζ, excluding 3d, though the shapes of the corresponding Fermi surfaces aredifferent to each other; no Fermi surfaces were obtainable by themethods of A. J. Berlinsky, J. F. Carolan and L. Weiler, SolidState Commun., 1974, 15, 795, double ζ, including 3d; quasi-one-dimensional Fermi surfaces are obtained by the method of R. Kato, Y.-L. Liu, H. Sawa, S. Aonuma, A. Ichikawa, H. Takahashi and N. Mori, Solid State Commun., 1995, 94, 973, single ζ, excluding 3d.
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