Structural predictions for correlated electron materials using the functional dynamical mean field theory approach
K Haule - Journal of the Physical Society of Japan, 2018 - journals.jps.jp
The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods
has been able to address reach physics of correlated materials, such as the fluctuating local …
has been able to address reach physics of correlated materials, such as the fluctuating local …
Metal-Insulator Transition in : A Perspective
We present a theoretical investigation of the electronic structure of rutile (metallic) and M 1
and M 2 monoclinic (insulating) phases of VO 2 employing a fully self-consistent …
and M 2 monoclinic (insulating) phases of VO 2 employing a fully self-consistent …
The valence-fluctuating ground state of plutonium
A central issue in material science is to obtain understanding of the electronic correlations
that control complex materials. Such electronic correlations frequently arise because of the …
that control complex materials. Such electronic correlations frequently arise because of the …
Thermoelectricity in correlated narrow-gap semiconductors
JM Tomczak - Journal of Physics: Condensed Matter, 2018 - iopscience.iop.org
We review many-body effects, their microscopic origin, as well as their impact on
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …
Magnetic collapse and the behavior of transition metal oxides at high pressure
I Leonov, L Pourovskii, A Georges, IA Abrikosov - Physical Review B, 2016 - APS
We report a detail theoretical study of the electronic structure and phase stability of transition
metal oxides MnO, FeO, CoO, and NiO in their paramagnetic cubic B 1 structure by …
metal oxides MnO, FeO, CoO, and NiO in their paramagnetic cubic B 1 structure by …
Metal-insulator transition and local-moment collapse in FeO under pressure
I Leonov - Physical Review B, 2015 - APS
We employ a combination of the ab initio band-structure methods and dynamical mean-field
theory to determine the electronic structure and phase stability of paramagnetic FeO at high …
theory to determine the electronic structure and phase stability of paramagnetic FeO at high …
Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO
I Leonov, AO Shorikov, VI Anisimov, IA Abrikosov - Physical Review B, 2020 - APS
We perform a comprehensive theoretical study of the pressure-induced evolution of the
electronic structure, magnetic state, and phase stability of the late transition metal …
electronic structure, magnetic state, and phase stability of the late transition metal …
Pressure-induced concomitant topological and metal-insulator quantum phase transitions in Ce3Pd3Bi4
The electronic property and magnetic susceptibility of Ce3Pd3Bi4 were systemically
investigated from 18 to 290 K for varying values of cell volume using dynamic mean-field …
investigated from 18 to 290 K for varying values of cell volume using dynamic mean-field …
Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory
In common with many strongly correlated electron systems, intermediate valence
compounds are believed to display a crossover from a high-temperature regime of …
compounds are believed to display a crossover from a high-temperature regime of …
Towards a first-principles determination of effective Coulomb interactions in correlated electron materials: Role of intershell interactions
The determination of the effective Coulomb interactions to be used in low-energy
Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks …
Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks …