Related papers: Composition-driven Mott transition within SrTi$_{\…
We propose the concept of "hybridization-switching induced Mott transition" which is relevant to a broad class of ABO$_3$ perovskite materials including BiNiO$_3$ and PbCrO$_3$ which feature extended $6s$ orbitals on the A-site cation (Bi…
Switching voltage of first-order metal-insulator transition (MIT) in VO_2, an inhomogeneous strongly correlated system, is changed by irradiating an infrared light with wavelength, 1.5 micrometer, and applying the electric field…
Oxide semimetals exhibiting both nontrivial topological characteristics stand as exemplary parent compounds and multiple degrees of freedom, offering great promise for the realization of novel electronic states. In this study, we present…
Rare-earth nickelates R$^{3+}$Ni$^{3+}$O$_3$ (R=Lu-Pr, Y) show a striking metal-insulator transition in their bulk phase whose temperature can be tuned by the rare-earth radius. These compounds are also the parent phases of the newly…
The combination of density functional theory and single-site dynamical mean-field theory, using both Hartree and full continuous-time quantum Monte Carlo impurity solvers, is used to study the metal-insulator phase diagram of perovskite…
Turning a pristine Mott insulator into a correlated metal by chemical doping is a common procedure in strongly correlated materials physics, e.g. underlying the phenomenology of high-$T_c$ cuprates. The ruthenate bilayer compound…
We report the study of metal-STO-metal memristors where the doping concentration in STO can be fine-tuned through electric field migration of oxygen vacancies. In this tunnel junction device, the evolution of the Density Of States (DoS) can…
Quantum transitions between the Mott insulator and metals by controlling filling in two-dimensional square lattice are characterized by a large dynamical exponent $z=4$ where the origin of unusual metallic properties near the Mott insulator…
Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…
We investigate the double layered Sr$_{3}$(Ru$_{1-x}$Mn$_{x}$)$_{2}$O$_{7}$ and its doping-induced quantum phase transition (QPT) from a metal to an antiferromagnetic (AFM) Mott insulator. Using spectroscopic imaging with the scanning…
The electronic properties of Mott insulators realized in (111) bilayers of perovskite transition-metal oxides are studied. The low-energy effective Hamiltonians for such Mott insulators are derived in the presence of a strong spin-orbit…
Transition metal oxides, which have a perovskite structure, have received much attention in recent decades. This is because of the very suitable properties that can be used in various industries. One of the fields where the properties of…
It has been reported that upon doping a Mott insulator, there can be a crossover to a pseudogaped metallic phase followed by a first-order transition to another thermodynamically stable metallic phase. We call this first-order metal-metal…
Transport and magnetic properties have been systematically investigated for SmMnAsO_{1-x} with controlled electron-doping. As the electron band-filling is increased with the increase of oxygen deficiency (x), the resistivity monotonically…
The electron-doping-driven collapse of the charge gap and staggered magnetization of the spin-orbit-assisted Mott insulator Sr$_{3}$Ir$_{2}$O$_{7}$ is explored via first-principles computational methods. In the antiferromagnetic phase, the…
We present a computational study of PbCoO$_3$ at ambient and elevated pressure. We employ the static and dynamic treatment of local correlation in form of density functional theory + $U$ (DFT+$U$) and + dynamical mean-field theory…
One of the major puzzles in condensed matter physics has been the observation of a Mott-insulating state away from half-filling. The filling-controlled Mott insulator-metal transition, induced via charge-carrier doping, has been extensively…
The underlying mechanism of the metal-to-insulator transition (MIT) in BaVS$_3$ is investigated, using dynamical mean-field theory in combination with density functional theory. It is shown that correlation effects are responsible for a…
For inhomogeneous high-T_c superconductors, hole-driven metal-insulator transition (MIT) theory explains that the gradual increase of conductivity with increasing hole doping is due to inhomogeneity with the local Mott system undergoing the…
The combination of bandstructure theory in the local density approximation with dynamical mean field theory was recently successfully applied to V$_2$O$_3$ -- a material which undergoes the f amous Mott-Hubbard metal-insulator transition…