Highly accurate electronic structure calculations for the Mott transition with multiple degrees of freedom
| Project/Area Number |
23540359
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Condensed matter physics I
|
|---|
| Research Institution | Yamagata University |
|---|
Principal Investigator |
|
|---|
| Project Period (FY) |
2011-04-28 – 2015-03-31
|
| Project Status |
Completed (Fiscal Year 2014)
|
| Budget Amount *help |
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
|
|---|
| 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 / 非断熱効果 / 光電子分光 / 2光子光電子分光 / 多体効果 / 多自由度 / 強相関電子系 / 光物性 / 電子相関 |
|---|
| 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.
|
Report
(5 results)
Research Products
(28 results)
