Related papers: Doping induced metal-insulator phase transition in…
Structural and electronic properties of pristine and transition metal doped ZnS monolayer are investigated within the framework of density functional theory. The pristine ZnS monolayer is showing direct band gap of about 2.8 eV. The…
The electronic structure of vanadium sesquioxide in its different phases has been calculated using the screened exchange (sX) hybrid functional. The hybrid functional reproduces the electronic properties of all three phases, the…
The dipole trap model is able to explain the main properties of the apparent metal-to-insulator transition in gated high mobility Si-inversion layers. Our numerical calculations are compared with previous analytical ones and the assumptions…
It has been demonstrated in previous experimental and computational work that doping CeO2 with transition metals is an effective way of tuning its properties. However, each previous study on CeO2 doping has been limited to a single or a few…
We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO$_3$ near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a combination of density functional and dynamical mean-field…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
We study the effect of disorder and doping on the metal-insulator transition in a repulsive Hubbard model on a square lattice using the determinant quantum Monte Carlo method. First, with the aim of making our results reliable, we compute…
The electronic structures of boron nitride nanotubes (BNNTs) doped by organic molecules are investigated with density functional theory. Electrophilic molecule introduces acceptor states in the wide gap of BNNT close to the valence band…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation…
We investigate the doping-driven metal-insulator transition of the (2+1)-dimensional Hubbard model in the path-integral formalism with the tensor renormalization group method. We calculate the electron density $\langle n\rangle$ as a…
YTiO3, as a prototypical Mott insulator, has been the subject of numerous experimental investigations of its electronic structure. The onset of absorption in optical conductivity measurements has generally been interpreted to be due to…
First-principles band structure investigations of the electronic, optical and magnetic properties of Mo-doped In$_2$O$_3$ reveal the vital role of magnetic interactions in determining both the electrical conductivity and the Burstein-Moss…
To understand how charge transport is affected by a background medium and vice versa we study a two-channel transport model which captures this interplay via a novel, effective fermion-boson coupling. By means of (dynamical) DMRG we prove…
Sliding of two-dimensional materials is critical for their application as solid lubricants for space, and also relevant for strain engineering and device fabrication. Dopants such as Ni surprisingly improve lubrication in MoS$_2$, despite…
Iron oxide is a key compound to understand the state of the deep Earth. It has been believed that previously known oxides such as FeO and Fe2O3 will be dominant at the mantle conditions. However, recent observation of FeO2 shed another…
The insulating state of matter can be probed by means of a ground state geometrical marker, which is closely related to the modern theory of polarization (based on a Berry phase). In the present work we show that this marker can be applied…
We observe an insulator-to-metal (I-M) transition in crystalline silicon doped with sulfur to non- equilibrium concentrations using ion implantation followed by pulsed laser melting and rapid resolidification. This I-M transition is due to…
We investigate the properties of the metallic state obtained by photo-doping carriers into a Mott insulator. In a strongly interacting system, these carriers have a long life-time, so that they can dissipate their kinetic energy to a phonon…
The doping-induced metal-insulator transition in two-chain systems of correlated fermions is studied using a solvable limit of the t-J model and the fact that various strong- and weak-coupling limits of the two-chain model are in the same…
In this work, we study Metal-Insulator transition in a holographic model containing an interaction between the order parameter and charge-carrier density. It turns out that the impurity density of this model can drive the phase transition…