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13 papers · 2 filters
Fragment Model Study of Molecular Multi-Orbital System [Pd(dmit)]
Hitoshi Seo, Takao Tsumuraya, Masahisa Tsuchiizu +2
Electronic properties of quasi-two-dimensional molecular conductors [Pd(dmit)] are studied theoretically. We construct an effective model based on the fragment molecular…
Density-matrix renormalization group study of third harmonic generation in one-dimensional Mott insulator coupled with phonon
Shigetoshi Sota, Seiji Yunoki, Takami Tohyama
We examine the third-order non-linear optical response of a one-dimensional Mott insulator coupled with phonons. The Mott insulator is described by an extended Hubbard-Holstein mod…
Thermal conductivity across the metal-insulator transition in single crystalline hyperkagome NaIrO
B. Fauqué, Xiaofeng Xu, A. F. Bangura +7
The hyperkagome antiferromagnet NaIrO represents the first genuine candidate for the realisation of a three-dimensional quantum spin-liquid. It can also be doped towa…
Commensurate structural modulation in the charge- and orbitally-ordered phase of the quadruple perovskite (NaMn)MnO
A. Prodi, A. Daoud-Aladine, F. Gozzo +9
By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition =176 K in the mixed-valence quadruple perovskite (N…
Density-Matrix Renormalization Group Study of Extended Kitaev-Heisenberg Model
Kazuya Shinjo, Shigetoshi Sota, Takami Tohyama
We study an extended Kitaev-Heisenberg model including additional anisotropic couplings by using two-dimensional density-matrix renormalization group method. Calculating the gound-…
Block Lanczos density-matrix renormalization group method for general Anderson impurity models: Application to magnetic impurity problems in graphene
Tomonori Shirakawa, Seiji Yunoki
We introduce a block Lanczos (BL) recursive technique to construct quasi-one-dimensional models, suitable for density-matrix renormalization group (DMRG) calculations, from single-…