Related papers: DFT+U+V Study of Magnetic Ordering in Single-Layer…
We report a detailed investigation of the Fermi surface in the layered Dirac semimetal TaNiTe$_5$. We probed the magnetization, magnetic torque and magnetoresistance in high-quality single crystals. Pronounced Shubnikov - de Haas (SdH) and…
Density functional theory calculations are used to systematically investigate the structural and electronic properties of MX$_2$ transition metal dichalcogenide monolayers with M = Cr, Mo, W and X = S, Se, Te that are doped with single (V,…
We study the origin of layer dependence in band structures of two-dimensional materials. We find that the layer dependence, at the density functional theory (DFT) level, is a result of quantum confinement and the non-linearity of the…
We review recent progress in our theoretical understanding of strongly correlated fermion systems in the presence of disorder. Results were obtained by the application of a powerful nonperturbative approach, the Dynamical Mean-Field Theory…
We present a thorough tight-binding analysis of the band structure of a wide variety of lattices belonging to the class of honeycomb and Kagome systems including several mixed forms combining both lattices. The band structure of these…
We present here the minimal tight--binding model for a single layer of transition metal dichalcogenides (TMDCs) MX$_{2}$ (M--metal, X--chalcogen) which illuminates the physics and captures band nesting, massive Dirac Fermions and Valley…
Higher superconducting critical temperature and large-area epsilon-near-zero interfaces are two long-standing goals of Condensed Matter Physics and Optics. Motivated by the recent advancements of experimental interests on metallic…
We predict that the anti-ferromagnetic (AFM) magnetic structure of delafossite PdCrO$_2$ has a staggered chirality with the double-layer periodicity along the $z$-axis with intriguing magnetic anisotropy. We study the electronic and…
To obtain high-performance spintronic devices with high integration density, two-dimensional (2D) half-metallic materials are eagerly pursued all along. Here, we propose a stable 2D material with a honeycomb-kagome lattice, i.e., the Mg3C2…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
Discovering Dirac fermions with novel properties has become an important front in condensed matter and materials sciences. Here, we report the observation of unusual Dirac fermion states in a strongly-correlated electron setting, which are…
In this study, we formulate a density functional theory (DFT) for systems of labeled particles, considering a two-dimensional bead-spring lattice with a magnetic dipole on every bead as a model for ferrogels. On the one hand, DFT has been…
We study the electronic structure of delafossite PtCoO$_2$ to elucidate its extremely small resistivity and high mobility. The band exhibits steep dispersion near the Fermi level despite the fact that it is formed mainly by Pt $d$ orbitals…
Materials with flat bands can serve as a promising platform to investigate strongly interacting phenomena. However, experimental realization of ideal flat bands is mostly limited to artificial lattices or moir\'e systems. Here we report a…
We present a two-dimensional electron heterostructure field effect device of simplistic design and ease of fabrication that displays high mobility electron transport. This is accomplished using a high efficacy contacting scheme and simple…
Emergent Dirac fermion states underlie many intriguing properties of graphene, and the search for them constitute one strong motivation to explore two-dimensional (2D) allotropes of other elements. Phosphorene, the ultrathin layers of black…
We consider a disordered system of gapless fermions interacting with a singular transverse (2+1)-dimensional gauge-field. We study quantum corrections to fermion conductivity and show that they are very different from those in a Fermi…
We study the physics on the paramagnetic side of the phase diagram of the cobaltates, $Na_{x}CoO_{2}$, with an implementation of cellular dynamical mean field theory (CDMFT) with the non-crossing approximation (NCA) for the one-band Hubbard…
First principles density functional theory (DFT) is used to investigate the electronic structure of \beta-MnO2. From collinear spin polarized calculations we find that DFT+U_Eff predicts a gapless ferromagnet in contrast with experiment…
We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…