2014 Fiscal Year Final Research Report
Highly accurate electronic structure calculations for the Mott transition with multiple degrees of freedom
| Project/Area Number |
23540359
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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 |
Condensed matter physics I
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| Research Institution | Yamagata University |
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Principal Investigator |
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| Project Period (FY) |
2011-04-28 – 2015-03-31
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| Keywords | 多自由度系 / モット転移 / 共鳴Hartree-Fock法 / 非断熱的効果 / 格子 / 量子揺らぎ |
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| Outline of Final Research Achievements |
Correlated materials with multiple degrees of freedom, such as charge, spin, orbital, and lattice, have potentials for technological application. However highly accurate theoretical description has been quite difficult so far. We have developed a new theoretical framework to describe such correlated materials and clarified their detailed electronic structures. First, we have pointed out that the exchange interaction of the on-site and different orbitals can break the band degeneracy of SrVO3 which has three degenerate orbitals.
Then we have clarified the electronic structures of conducting polymers. The relationship between the conductivity and the lattice structure has been an open question for a long time. We have succeeded to treat the lattice quantum mechanically and beyond the adiabatic application by using the coherent state representation of phonons. We have pointed out that the lattice distortion survives even after they behave as a simple metal.
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| Free Research Field |
光物性理論
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