| Project/Area Number |
24560801
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Physical properties of metals
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| Research Institution | Shizuoka University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
FUJIMA Nobuhisa 静岡大学, 工学研究科, 教授 (30219042)
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| Co-Investigator(Renkei-kenkyūsha) |
ASATO Mituhiro 新浜工業高等専門学校, 数理科, 教授 (20353261)
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| Project Period (FY) |
2012-04-01 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2013: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2012: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
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| Keywords | 第一原理計算 / Screend-FPKKR / 密度汎関数法(GGA) / 遷移金属シリサイド / 磁性 / 電気伝導性 / ハーフメタル / 格子歪 / ＫＫＲ / ＧＧＡ / 磁性の温度依存性 / 遷移金属シリサイドの磁性 / 密度汎関数法（ＧＧA) / FPKKR-Green関数法 / 密度汎関数法 / ＫＫＲ-Ｇｒｅｅｎ関数法 / 電子構造・磁性 |
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| Outline of Final Research Achievements |
It is well known experimentally that the cubic B20 structure transition metal monosilicides XSi(X=Cr,Mn,Fe,Co) exhibits a wide variety of magnetic and transport behavior, such as CrSi(non-magnetic(NM) metal), MnSi(ferromagnetic(FM) metal), FeSi(NM semiconductor with a small gap), and CoSi(NM semimetal). It is also known that the mixtures Fe(1-c)Co(c)Si of FeSi and CoSi become FM at intermediate concentrations although both extrema are NM. It is recently shown that the Fe(1-c)Co(c)Si disordered alloys present a remarkable behavior of half-metallicity in the Fe-rich region. We successfully reproduced the fundamental features of the magnetic and electronic properties of XSi and Fe(1-c)Co(c)Si, using ab-initio calculations based on the GGA in the density functional theory and the full-potential Korringa-Kohn-Rostoker Green's function method.
We also studied the lattice distortion effect around impurities in Fe, as a preparation for the study of the distortion effect in the prsent systems.
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