- 著者
- Oda Tatsuki Pasquarello Alfredo
- 出版者
- American Physical Society
- 雑誌
- Physical Review B - Condensed Matter and Materials Physics (ISSN:10980121)
- 巻号頁・発行日
- vol.70, no.13, pp.134402-1-134402-19, 2004-10-01
金沢大学大学院自然科学研究科計算科学
- 著者
- Shimada Kenya Mizokawa Takashi Mamiya Kazutoshi Saitoh Tomohiko Fujimori Atsushi Ono Kanta Kakizaki Akito Ishii Takehiko Shirai Masafumi Kamimura Takashi
- 出版者
- American Physical Society
- 雑誌
- Physical Review B - Condensed Matter and Materials Physics (ISSN:01631829)
- 巻号頁・発行日
- vol.57, no.15, pp.8845-8853, 1998-04-15
- 被引用文献数
- 3 43
The electronic structures of the antiferromagnetic semiconductor FeS and ferrimagnetic metals Fe7S8 and Fe7Se8 have been studied by spin-integrated and spin-resolved photoemission spectroscopy and inverse-photoemission spectroscopy. The overall Fe 3d bandwidth in the photoemission spectra is 25-30 % narrower than the density of states (DOS) predicted by first-principles band-structure calculations and is accompanied by an intense tail on the high-binding-energy side, indicating the correlated nature of electrons in the Fe 3d band. Deviation from the band DOS is more significant in Fe7S8 than in Fe7Se8, and in the minority-spin spectra than in the majority-spin spectra. Cluster-model calculation for FeS has shown satellite structures at high binding energies, but the calculated spectral line shape is not in good agreement with experiment compared to the band DOS. By introducing a self-energy correction to the band DOS, we could explain the narrowing of the overall Fe 3d bandwidth and the high-binding-energy tail shape but not for the unusual broadening of the Fe 3d band within ∼ 1 eV of the Fermi level.
- 著者
- Kawamoto Tadashi Mori Takehiko Takimiya Kazuo Kataoka Yoshiro Aso Yoshio Otsubo Tetsuo
- 出版者
- American Physical Society
- 雑誌
- Physical Review B - Condensed Matter and Materials Physics (ISSN:01631829)
- 巻号頁・発行日
- vol.65, no.14, pp.140508-1-140508-4, 2002-03-28
- 被引用文献数
- 7 42
The degree of charge transfer and the upper critical field of the organic superconductor (MDT-TSF)(AuI2)x have been investigated (MDT-TSF: methylenedithio-tetraselenafulvalene). The x-ray oscillation photograph indicates that the anion lattice is incommensurate with the donor lattice, and the chemical composition is (MDT-TSF)(AuI2)0.44 . The charge-transfer degree of this salt is 0.44. The electrical resistivity and the Seebeck coefficient indicate that this salt is a good Fermi liquid above the superconducting transition temperature. The upper critical fields show anisotropic three-dimensional character in spite of the complicated incommensurate structure, and are within the Clogston-Chandrasekhar paramagnetic limit in all directions.