2004 Fiscal Year Final Research Report Summary
Development of the dynamical cluster approximation far the strongly correlated lattice model on the parallel computers
| Project/Area Number |
14540322
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
固体物性Ⅱ(磁性・金属・低温)
|
|---|
| Research Institution | Tohoku University |
|---|
Principal Investigator |
SHIMIZU Yukihiro Tohoku University, Graduate school of engineering, Lecturer, 大学院・工学研究科, 講師 (70250727)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
SAKAI Osamu Tokyo Metropolitan University, Graduate school of science, Professor, 大学院・理学研究科, 教授 (60005957)
|
|---|
| Project Period (FY) |
2002 – 2004
|
| Keywords | dynamical mean field theory / LMTO band calculation / Kondo effect / periodic Anderson model / Filled skutterudites |
|---|
| Research Abstract |
1.Development of a parallel computer system and the computer programs
We develop a PC cluster system with 16 CPUs, which are connected by the gigabit ethernet each other, for parallel computation by the MPI programs. We develop the computer programs of the quantum Monte Carlo method to solve the cluster impurity Anderson model. We continue the development of the programs suited for lager parallel computer systems.
2.Study of local correlation in the binary ferromagnetic alloy
The effect of the fluctuation of local correlation in the phase diagram of binary ferromagnetic alloy is investigated by using the coherent potential approximation and the dynamical mean field theory. The Curie temperature varies smoothly as the function of the concentration. This behavior is different from the phase diagram that is calculated by the Hartree-Fock approximation.
3.Study of electronic state of the filled skutterudites
We analyze the resonant photoemission spectrum of f-electron in filled Pr skutterudites. We find the resonance peak at the Fermi level with satellite structures from the excited states of multiplet in Pr ion. We also examine the ground state of an impurity Anderson model, which has a singlet as the lowest state and multiplets as excited states of an f2 configuration subject to a cubic CEF.
4.Study of LMTO band calculation and the dynamical mean field theory
In order to combine the dynamical mean filed theory and the electronic structre we develop the programs of LMTO band calculations.
|
