Development of the dynamical cluster approximation far the strongly correlated lattice model on the parallel computers

并行计算机上强相关晶格模型动态簇逼近的发展

• 批准号: 14540322
• 负责人: SHIMIZU Yukihiro
• 金额: $ 1.98万
• 依托单位: Tohoku University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2002
• 资助国家: 日本
• 起止时间: 2002 至 2004
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-14540322/
• 关键词: dynamical mean field theory; LMTO band calculation; Kondo effect; periodic Anderson model; Filled skutterudites; スクッテルダイト; 周期的アンダーソン模型; 動的クラスター近似; 並列計算アルゴリズム

1.Development of a parallel computer system and the computer programsWe 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 alloyThe 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 skutteruditesWe 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 theoryIn order to combine the dynamical mean filed theory and the electronic structre we develop the programs of LMTO band calculations.

1.平行计算机系统和计算机程序的开发开发具有16个CPU的PC群集系统，该系统由千兆以太网连接，以通过MPI程序并行计算。我们开发了量子蒙特卡洛方法的计算机程序来解决集群杂质安德森模型。我们继续开发适合啤酒平行计算机系统的程序。2。在二元铁磁合金中局部相关性研究局部相关性波动在二元铁磁合金相图中的效果是通过使用连贯的势近似值和动态平均值的二元铁磁合金研究的。居里温度随着浓度的功能而平稳变化。这种行为不同于由hartree-fock近似计算得出的相图。3。填充Skutterudites的电子状态的研究，分析了填充的pr skutterudites中F-电子的谐振光发射光谱。我们发现在费米水平上的共振峰具有来自PR ION中多重态激发态的卫星结构。我们还检查了杂质的安德森模型的基态，该模型的最低状态和多重态作为f2配置的激发态。

项目成果

Kondo Effect in systems with Two-Electron Occupancy

双电子占据系统中的近藤效应

• 发表时间: 2005
• 期刊: J.Phys.Soc.Jpn. 74(1)
• 作者: M.Saitoh;Y.Aoki;Y.Wada;A.Ogino;R.Nomura;Y.Okuda;清水幸弘 他
• 通讯作者: 清水幸弘 他

Effect of non-local Correlations in the Periodic Anderson Model

周期性安德森模型中非局部相关性的影响

• 发表时间: 2002
• 期刊: Physica B 312-313
• 作者: Y.Shimizu

Invariant Form of Multipolar Interactions and Relation between Antiferro-Quadrupolar Order and Field-Inducede Magnetic Moments

多极相互作用的不变形式以及反铁四极序与场感磁矩之间的关系

• 发表时间: 2003
• 期刊: Journal of the Physical society of Japan 72・6
• 作者: 倉本義夫;清水幸弘;O.Sakai
• 通讯作者: O.Sakai

Change of Electronic Structure Induced by Magnetic Transition in CeBi

CeBi磁转变引起的电子结构变化

• 发表时间: 2004
• 期刊: Journal of the Physical Society of Japan 73・9
• 作者: K.K.Okudaira;T.Watanabe;S.Kera;E.Kobayashi;K.Mase;N.Ueno;S.Kimura
• 通讯作者: S.Kimura

Yukihiro Shimizu: "An Application of the dynamical mean-field approximation to ferromagnetic alloys"Journal of Magnetism and Magnetic Materials. (印刷中). (2004)

Yukihiro Shimizu：“动态平均场近似在铁磁合金中的应用”磁性与磁性材料杂志（2004 年）。