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Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates
A. Yamasaki, H. Fujiwara, S. Tachibana +19
In this study, we systematically investigate 3D momentum()-resolved electronic structures of Ruddlesden-Popper-type iridium oxides SrIrO using soft-x-…
Topological insulators in ordered double transition metals MMC (M= Mo, W; M= Ti, Zr, Hf) MXenes
Mohammad Khazaei, Ahmad Ranjbar, Masao Arai +1
The family of two-dimensional transition metal carbides, so called MXenes, has recently found new members with ordered double transition metals MMC, where M and M…
Electron-hole doping asymmetry of Fermi surface reconstructed in a simple Mott insulator
Yoshitaka Kawasugi, Kazuhiro Seki, Yusuke Edagawa +6
It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high cupra…
From a quasimolecular band insulator to a relativistic Mott insulator in systems with a honeycomb lattice structure
Beom Hyun Kim, Tomonori Shirakawa, Seiji Yunoki
The orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharin…
Ground state phase diagram of the triangular lattice Hubbard model by density matrix renormalization group method
Tomonori Shirakawa, Takami Tohyama, Jure Kokalj +2
Two-dimensional density-matrix renormalization group method is employed to examine the ground state phase diagram of the Hubbard model on the triangular lattice at half filling. Th…
Nearly Free Electron States in MXenes
Mohammad Khazaei, Ahmad Ranjbar, Mahdi Ghorbani-Asl +4
Using a set of first-principles calculations, we studied the electronic structures of two-dimensional transition metal carbides and nitrides, so called MXenes, functionalized with…
Density matrix renormalization group study in energy space for a single-impurity Anderson model and an impurity quantum phase transition
Tomonori Shirakawa, Seiji Yunoki
The density matrix renormalization group method is applied to obtain the ground state phase diagram of the single impurity Anderson model on the honeycomb lattice at half filling.…
Emergence of massless Dirac quasiparticles in correlated hydrogenated graphene with broken sublattice symmetry
Kazuhiro Seki, Tomonori Shirakawa, Qinfang Zhang +2
Using the variational cluster approximation (VCA) and the cluster perturbation theory, we study the finite temperature phase diagram of a half-depleted periodic Anderson model on t…
Spin-Orbital Entangled Excitonic Insulators in Correlated Electron Systems
Toshihiro Sato, Tomonori Shirakawa, Seiji Yunoki
We employ the multi-orbital dynamical mean-field theory to examine the ground state of a three-orbital Hubbard model with a relativistic spin-orbit coupling (SOC) at four electrons…
Brillouin-zone integration scheme for many-body density of states: Tetrahedron method combined with cluster perturbation theory
Kazuhiro Seki, Seiji Yunoki
By combining the tetrahedron method with the cluster perturbation theory (CPT), we present an accurate method to numerically calculate the density of states of interacting fermions…
Slave rotor theory of the Mott transition in the Hubbard model: a new mean field theory and a new variational wave function
Tao Li, Tomonori Shirakawa, Kazuhiro Seki +1
A new mean field theory is proposed for the Mott transition in the Hubbard model based on the slave rotor representation of the electron operator. This theory provides a better des…