Development and application of first-principles molecular dynamics method by using a relativistic pseudopotential.
| Project/Area Number |
20510102
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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 |
Nanomaterials/Nanobioscience
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| Research Institution | Kanazawa University |
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Principal Investigator |
小田 竜樹 Kanazawa University, 数物科学系, 教授 (30272941)
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| Project Period (FY) |
2008 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2008: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
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| Keywords | スピン軌道相互作用 / 擬ポテンシャル / 第一原理分子動力学法 / 磁気異方性 / ラシュバ効果 / スピントロニクス |
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| Research Abstract |
We have developed the pseudopotentials which includes almost all the relativistic effects and installed them to the first-principles molecular dynamics method. Moreover, we have applied the computational code to investigate electric field effects on magnetic anisotropy and Rashba's effects on the surfaces of semiconductors, which will play important roles in spin electronics applications. As the result, it was verified that the computational code developed has been found to provide a responsible tool for research in the new science field.
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Report
(4 results)
Research Products
(52 results)
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[Journal Article] Abrupt rotation of the Rashba spin to the direction perpendicular to the surface2009
Author(s)
K.Sakamoto, T.Oda, A.Kimura, K.Miyamoto, M.Tsujikawa, A.Imai, N.Ueno, H.Namatame, M.Taniguchi, P. E.J.Eriksson, R.I.G.Uhrberg
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Journal Title
NAID
Related Report
Peer Reviewed
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