Effect of correlation on electronic properties of NiO: A study from dynamical mean field theory
Sign Up to like & getrecommendations! Published in 2019 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2019.04.004
Abstract: Abstract In order to describe a typical strongly correlated insulator NiO at electronic level, we perform a first principles calculation for temperature effect on electronic properties of NiO using a many-body method merging local density… read more here.
Keywords: properties nio; mean field; dynamical mean; electronic properties ... See more keywords
A dynamical mean-field study of orbital-selective Mott phase enhanced by next-nearest neighbor hopping
Sign Up to like & getrecommendations! Published in 2018 at "Physica B: Condensed Matter"
DOI: 10.1016/j.physb.2018.04.003
Abstract: Abstract The dynamical mean-field theory is employed to study the orbital-selective Mott transition (OSMT) of the two-orbital Hubbard model with nearest neighbor hopping and next-nearest neighbor (NNN) hopping. The NNN hopping breaks the particle-hole symmetry… read more here.
Keywords: dynamical mean; orbital selective; nearest neighbor; selective mott ... See more keywords
Density Functional Theory Plus Dynamical Mean Field Theory within the Framework of Linear Combination of Numerical Atomic Orbitals: Formulation and Benchmarks.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00472
Abstract: The combination of density functional theory with dynamical mean-field theory (DFT+DMFT) has become a powerful first-principles approach to tackle strongly correlated materials in condensed matter physics. The wide use of this approach relies on robust… read more here.
Keywords: theory; functional theory; dynamical mean; combination ... See more keywords
Dynamical mean-field study of Vanadium diselenide monolayer ferromagnetism
Sign Up to like & getrecommendations! Published in 2020 at "2D Materials"
DOI: 10.1088/2053-1583/ab8b48
Abstract: To understand the magnetism of VSe$_2$, whose monolayer form has recently been reported to be a room temperature ferromagnet, Here, the combined method of conventional density functional theory with dynamical mean-field theory has been adopted.… read more here.
Keywords: field study; monolayer; dynamical mean; mean field ... See more keywords
Proximity effect in a heterostructure of a high- Tc superconductor with a topological insulator from dynamical mean field theory
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.101.054512
Abstract: We investigate the proximity effect in a heterostructure of the topological insulator (TI) \BiSe\ deposited on the HTSC material BSCCO. The latter is described by the one-band Hubbard model and is treated with cluster dynamical… read more here.
Keywords: topological insulator; proximity effect; dynamical mean; effect heterostructure ... See more keywords
Statistical error estimates in dynamical mean-field theory and extensions thereof
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.102.085124
Abstract: We employ the jackknife algorithm to analyze the propagation of the statistical quantum Monte Carlo error through the Bethe--Salpeter equation. This allows us to estimate the error of dynamical mean-field theory calculations of the susceptibility… read more here.
Keywords: dynamical mean; mean field; error; field theory ... See more keywords
Real-space dynamical mean field theory study of non-Hermitian skin effect for correlated systems: Analysis based on pseudospectrum
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.103.125145
Abstract: We analyze a correlated system in equilibrium with special emphasis on non-Hermitian topology inducing a skin effect. The pseudospectrum, computed by the real-space dynamical mean field theory, elucidates that additional pseudoeigenstates emerge for the open… read more here.
Keywords: skin effect; non hermitian; real space; topology ... See more keywords
Antiferromagnetic magnons and local anisotropy: Dynamical mean-field study
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.104.075152
Abstract: We present a dynamical mean-field study of antiferromagnetic magnons in one-, twoand threeorbital Hubbard model of square and bcc cubic lattice at intermediate coupling strength. We investigate the effect of anisotropy introduced by an external… read more here.
Keywords: field; field study; dynamical mean; mean field ... See more keywords
Electron interactions, spin-orbit coupling, and intersite correlations in pyrochlore iridates
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.045133
Abstract: We perform combined density functional and dynamical mean-field calculations to study the pyrochlore iridates Lu$_2$Ir$_2$O$_7$, Y$_2$Ir$_2$O$_7$ and Eu$_2$Ir$_2$O$_7$. Both single-site and cluster dynamical mean-field calculations are performed and spin-orbit coupling is included. Paramagnetic metallic phases,… read more here.
Keywords: pyrochlore iridates; electron interactions; dynamical mean; mean field ... See more keywords
Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.245130
Abstract: In electronic systems with long-range Coulomb interaction, the nonlocal Fock-exchange term has a band-widening effect. While this effect is included in combined many-body perturbation theory and dynamical mean field theory (DMFT) schemes, it is not… read more here.
Keywords: combined many; many body; fock exchange; dynamical mean ... See more keywords
Conservation in two-particle self-consistent extensions of dynamical mean-field theory
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.96.075155
Abstract: Extensions of dynamical mean-field theory (DMFT) make use of quantum impurity models as nonperturbative and exactly solvable reference systems which are essential to treat the strong electronic correlations. Through the introduction of retarded interactions on… read more here.
Keywords: dynamical mean; extensions dynamical; self consistent; two particle ... See more keywords