Related papers: Electronic structure of tungsten-doped vanadium di…
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…
High temperature superconductivity in cuprates arises from doping a parent Mott insulator by electrons or holes. A central issue is how the Mott gap evolves and the low-energy states emerge with doping. Here we report angle-resolved…
We investigate the electrostatic effects in doped topological insulators by developing a self consistent scheme for an interacting tight binding model. The presence of bulk carriers, in addition to surface electrons, generates an intrinsic…
Vanadium dioxide is one of the most studied strongly correlated materials. Nonetheless, the intertwining between electronic correlation and lattice effects has precluded a comprehensive description of the rutile metal to monoclinic…
Controlling charged impurity disorder is a critical challenge for realizing the promise of topological insulator (TI) surfaces in devices. While doping is often used to tune the chemical potential, its impact on the fundamental disorder…
The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A…
Monolayer TaIrTe$_4$ has emerged as an attractive material platform to study intriguing phenomena related to topology and strong electron correlations. Recently, strong interactions have been demonstrated to induce strain and dielectric…
The archetypical strongly correlated Mott-phenomena compound V2O3 is known to show a paramagnetic metal-insulator transition driven by doping with chromium atoms and/or (negative) pressure. Via charge self-consistent density-functional…
The modifications in the electronic structure of Ni_{2+x}Mn_{1-x}Ga by Ni doping have been studied using full potential linearized augmented plane wave method and ultra-violet photoemission spectroscopy. Ni 3d related electron states appear…
We investigate how field-effect doping affects the structural properties, the electronic structure and the Hall coefficient of few-layers transition metal dichalcogenides by using density-functional theory. We consider mono-, bi-, and…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement…
The electronic band structure can change with temperature in Mott and Kondo insulators, even without a phase transition. Here, to clarify the underlying mechanism, the spectral function at nonzero temperature is studied. By considering…
The temperature dependence of the Mott metal-insulator transition (MIT) is studied with a VO_2-based two-terminal device. When a constant voltage is applied to the device, an abrupt current jump is observed with temperature. With increasing…
Although vanadium dioxide (VO2) exhibits the most abrupt metal to insulator transition (MIT) properties near room-temperature, the present regulation of their MIT functionalities is insufficient owing to the high complexity and susception…
Scalable substitutional doping of two-dimensional (2D) transition metal dichalcogenides (TMDCs) is a prerequisite to developing next-generation logic and memory devices based on 2D materials. To date, doping efforts are still nascent. Here,…
We investigate the metal insulator transitions at finite temperature for the Hubbard model with diagonal alloy disorder. We solve the dynamical mean field theory equations with the non crossing approximation and we use the coherent…
The addition of electron donors to the vacant A site of defect-perovskite structure tungsten trioxide causes a series of structural and chemical phase transitions; for instance, in the well-known case of the sodium tungsten bronzes…
The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…
We study the effects of hole doping on one-dimensional Mott insulators with orbital degrees of freedom. We describe the system in terms of a generalized t-J model. At a specific point in parameter space the model becomes integrable in…
High-$T_{\rm C}$ superconductors show anomalous transport properties in their normal states, such as the bad-metal and pseudogap behaviors. To discuss their origins, it is important to speculate whether these behaviors are…