Related papers: Doping induced metal-insulator phase transition in…

A metal-insulator transition (MIT) in BiFeO$_3$ under pressure was investigated by a method combining Generalized Gradient Corrected Local Density Approximation with Dynamical Mean-Field Theory (GGA+DMFT). Our paramagnetic calculations are…

In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal-insulator transition.…

Using first-principles modelling based on density functional theory we show that oxides implanted with transition metal can act as support for Au single atoms, which are stable against agglomeration. In our previous work we have shown that…

We have employed the Density Functional Theory formalism to investigate the nematic-isotropic capillary transitions of a nematogen confined by walls that favor antagonist orientations to the liquid crystal molecules (hybrid cell). We…

The metal-insulator transition (MIT) in paramagnetic VO2 is studied within LDA+DMFT(IPT), which merges the local density approximation (LDA) with dynamical mean field theory (DMFT). With a fixed value of the Coulomb U=5.0eV, we show how the…

Two recent experiments from Cornell and Columbia have reported insulator-to-metal transitions in two-dimensional (2D) moir\'e transition metal dichalcogenides (mTMD) induced by doping around half-filling, where the system is a Mott…

Observations are reported of a metal-insulator transition in a 2D hole gas in asymmetrically doped strained SiGe quantum wells. The metallic phase, which appears at low temperatures in these high mobility samples, is characterised by a…

Tin doped indium oxide (ITO) thin films are being used extensively as transparent conductors in several applications. In the present communication, we report the electrical transport in DC magnetron sputtered ITO thin films in low…

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 ground state of a double-exchange model for orbitally degenerate $e_g$ electrons with Jahn-Teller lattice coupling and weak disorder is found to be spatially inhomogeneous near half filling. Using a real space Monte-Carlo method we show…

Measurements of the resistivity, magnetoresistance and penetration depth were made on films of LaSrCuO with up to 12 at.% of Zn substituted for the Cu. The results show that the quadratic temperature dependence of the inverse square of the…

A review of electronic properties of insulating-, boron- and phosphorus-doped diamond is given. The main goal is, to show data in a wider context, to reveal trends and limitations with respect to carrier mobilities, conductivities, p- and…

This study investigates the novelty of the crystalline and electronic structure of (Mg,Ti)-doped ZnO and the co-doped Zn1-x-yMgxTiyO structures using Gaussian and plane-wave basis sets, as implemented in the CP2K code. The goal of…

Thermoelectric properties of the system La$_2$NiO$_{4+\delta}$ have been studied ab initio. Large Seebeck coefficient values are predicted for the parent compound, and to some extent remain in the hole-doped metallic phase, accompanied of…

We study structurally-triggered metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ by means of local density approximation (LDA) +$U$ and LDA+dynamical mean-field theory (DMFT). The ferrimagnetic insulating phase is essentially the same…

Metal-to-insulator phase transitions in complex oxide thin films are exciting phenomena which may be useful for device applications, but in many cases the physical mechanism responsible for the transition is not fully understood. Here we…

We have studied the chemical potential shift in La(1-x)Sr(x)MnO(3) as a function of doped hole concentration by core-level x-ray photoemission. The shift is monotonous, which means that there is no electronic phase separation on a…

We show numerically that the nature of the doping induced metal-insulator transition in the two-dimensional Hubbard model is radically altered by the inclusion of a term, $W$, which depends upon a square of a single-particle…

We present a density-functional theory (DFT) study of the structural, electronic, and chemical bonding behaviour in germanium (Ge)-doped vanadium dioxide (VO$_2$). Our motivation is to explain the reported increase of the metal-insulator…

Hyperdoping Si with chalcogens is a topic of great interest due to the strong sub-bandgap absorption exhibited by the resulting material, which can be exploited to develop broadband room-temperature infrared photodetectors using fully…