Electronic Structure of NiAs-Type Transition-Metal Chalcogenides
| Project/Area Number |
61540222
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| Research Category |
Grant-in-Aid for General Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Research Field |
固体物性
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| Research Institution | Utsunomiya University |
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Principal Investigator |
SUGIURA Chikara Faculty of Engineering, Utsunomiya, 工学部, 教授 (20006406)
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| Co-Investigator(Kenkyū-buntansha) |
KITAMURA Michihide Faculty of Engineering, Utsunomiya University, 工学部, 助手 (90161497)
MURAMATSU Shinji Faculty of Engineering, Utsunomiya University, 工学部, 助教授 (90008053)
NAKAI Shun-ichi Faculty of Engineering, Utsunomiya University, 工学部, 助教授 (70081429)
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| Project Period (FY) |
1986 – 1987
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| Project Status |
Completed (Fiscal Year 1987)
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| Budget Amount *help |
¥1,800,000 (Direct Cost: ¥1,800,000)
Fiscal Year 1987: ¥300,000 (Direct Cost: ¥300,000)
Fiscal Year 1986: ¥1,500,000 (Direct Cost: ¥1,500,000)
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| Keywords | X-ray absorption near-edge structure (XANES) / NiAs-type compound / Multiple-scattering theory / Molecular-orbital theory / Electronetativity / 遷移金属酸化物 / ケミカルシフト / 分光化学系列 / ヒ化ニッケル型 / 分子軌道 |
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| Research Abstract |
The purpose of this project is to show the x-ray K absorption spectra of 3d transition metals and its chalcogenides and oxides and the L_<II,III> absorption spectra of 4d transition-metal compounds and to obtain information on their electronic structures. The results are as following:
A. The Co K absorption spectra of CoO and CoS are quite similar to each other and the Ni K absorption spectra of NiO and NiS are also similar to each other. B. The Co K absorption spectrum of CoSe is different from that of CoS (or CoO) but is similar to the K absorption spectrum of metallic cobalt. Such a result is found in the Ni K absorption spectra of nickel metal and its compounds. C. The Fe K absorption spectra of iron metal is similar to that of FeS.
It is found that the p-like sates in the conduction bands of FeS, CoSe and NiSe are similar to those of metallic Fe, Co and Ni, respectively. The Fe, Co and Ni K absorption spectra of the chalcogenides and oxides are sensitive to the electronegativities of O, S, Se and Te.
The subtle difference is found between the Nb L_<II,III> absorption spectra of Nb_2O_5 and NH_4NbF_6. Significant differences are also found between the Nb L_<II> and Nb L_<III> absorption spectra. These spectra are interpreted in terms of molecular-orbital theory.
Sulfur K absorption spectra are calculated for NiAs type FeS, Cos and NiS crystals from a multiple-scattering approach within a muffin-tin-approximation.Cmparison between the calculated and experimental results indictes that a core hole created in the absorbing S atom does not so strongly affect the sulfur K absorption spectra of the metallic phase FeS, CoS and NiS.
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Report
(2 results)
Research Products
(10 results)
