2009 Fiscal Year Final Research Report
First-principles molecular dynamics theory of magnetic structures and phase transitions in the frustrated antiferromagnetic alloys
| Project/Area Number |
19540374
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Condensed matter physics II
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| Research Institution | Hokkaido Institute of Technology |
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Principal Investigator |
UCHIDA Takashi Hokkaido Institute of Technology, 創生工学部, 教授 (90265059)
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| Co-Investigator(Kenkyū-buntansha) |
KAKEHASHI Yoshirou 琉球大学, 理学部, 教授 (10191975)
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| Project Period (FY) |
2007 – 2009
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| Keywords | 遍歴電子磁性 / 等温分子動力学法 / 第一原理TB-LMTO法 / 磁気構造理論 / フラストレート型磁性金属 / Mn_3Pt / 平坦バンド / 有限温度金属磁性理論 |
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| Research Abstract |
We have formulated the molecular dynamics theory which determines the magnetic structures of metals and alloys in a first principle manner by extending the previous theory. Application of this theory to Mn_3Pt alloy at 25 K shows a noncollinear magnetic structure which is almost identical to that found in experiments. Electronic-structure calculations on Mn_3Pt reveals the formation of a flat band around the X point near the Fermi surface, and it is found that the nonmagnetic density of states of the d electron has a sub peak the location of which coincides with that of the Fermi energy.
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