Related papers: Vanadium dioxide : A Peierls-Mott insulator stable…
We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…
The temperature dependence of the local structure of V_2O_3 in the vicinity of the metal to insulator transition (MIT) has been investigated using hard X-ray absorption spectroscopy. It is shown that the vanadium pair distance along the…
The metal-insulator transition (MIT) in correlated oxide systems opens up a new paradigm to trigger the abruption in multiple physical functionalities, enabling the possibility in unlocking exotic quantum states beyond conventional phase…
We have varied the disorder in a two-dimensional electron system in silicon by applying substrate bias. When the disorder becomes sufficiently low, we observe the emergence of the metallic phase, and find evidence for a metal-insulator…
As a prototypical one-dimensional electron system, self-assembled indium (In) nanowires on the Si(111) surface have been believed to drive a metal-insulator transition by a charge-density-wave (CDW) formation due to electron-phonon…
The reversible metal-insulator transition in VO$_2$ at $T_\text{C} \approx 340$ K has been closely scrutinized yet its thermodynamic origin remains ambiguous. We discuss the origin of the transition entropy by calculating the electron and…
We study a bandwidth controlled Mott metal-insulator transition (MIT) between a Fermi liquid metal and a quantum spin-liquid insulator at half-filling in three dimensions (3D). Using a slave rotor approach, and incorporating gauge field…
Although most metal-insulator transitions in doped insulators are generally viewed as Mott transitions, some systems seem to deviate from this scenario. Alkali metal-ammonia solutions are a brilliant example of that. They reveal a phase…
We present the metal - insulator transition study of a quantum site percolation model on simple cubic lattice. Transfer matrix method is used to calculate transport properties - Landauer conductance - for the binary distribution of…
Unusual metallic states involving breakdown of the standard Fermi-liquid picture of long-lived quasiparticles in well-defined band states emerge at low temperatures near correlation-driven Mott transitions. Prominent examples are…
We use polarization- and temperature-dependent x-ray absorption spectroscopy, in combination with photoelectron microscopy, x-ray diffraction and electronic transport measurements, to study the driving force behind the insulator-metal…
The effects of the spin and lattice degrees of freedom on the electronic structure of M1 vanadium dioxide are explored using a quasiparticle description. Contraction of the inter-vanadium spacing of the Peierls pairings stabilizes bonding…
We present cluster-DMFT (CTQMC) calculations based on a downfolded tight-binding model in order to study the electronic structure of vanadium dioxide (VO_2) both in the low-temperature (M_1) and high-temperature (rutile) phases. Motivated…
The pressure-induced insulator to metal transition (IMT) of layered magnetic nickel phosphorous tri-sulfide NiPS3 was studied in-situ under quasi-uniaxial conditions by means of electrical resistance (R) and X-ray diffraction (XRD)…
Motivated by recent results of $N$th order muffin-tin orbital (NMTO) implementation of the density functional theory (DFT), we re-examine low-temperature ground-state properties of the anti-ferromagnetic insulating phase of vanadium…
One-body reduced density-matrix functional (1RDMF) theory has yielded promising results for small systems such as molecules, but has not addressed quantum phase transitions such as the Mott transition. Here we explicitly execute the…
In order to clarify the physics of the crossover from a Peierls band insulator to a correlated Mott-Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein-Hubbard model using…
The dynamical mean-field theory (DMFT) is employed to study the Mott transition in the semi-infinite Hubbard model at half-filling and zero temperature. We consider the low-index surfaces of the three-dimensional simple-cubic lattice and…
The low-energy properties of transition metal oxides (TMOs) are governed by the electrons occupying strongly correlated $d$-orbitals that are hybridized with surrounding ligand oxygen $p$ orbitals to varying degrees. Their physics is thus…
In the light of new experimental evidence we study the insulating ground state of the $3d^2$-transition metal trihalides VX$_3$ (X=Cl, I). Based on Density Functional Theory with the Hubbard correction (DFT$+U$) we systematically show how…