Related papers: Insulator-metal transition in solid hydrogen: Impl…
The nature of a metal-insulator transition tuned by external gates in quantum Hall (QH) systems with point constrictions, as reported in recent experiments of Roddaro et al [1], is examined. We attribute this phenomenon to a splitting of…
We review recent experimental results on the metal-insulator transition and low-density phases in strongly-interacting, low-disordered Si-based two-dimensional electron systems. Special attention is given to the metallic state in…
We investigate the band structure and topological phases of silicene embedded on halogenated Si(111) surface, by virtue of density functional theory and tight-binding calculations.Our results show that the Dirac character of low energy…
In graphene moir\'e superlattices, electronic interactions between layers are mostly hidden as band structures get crowded because of folding, making their interpretation cumbersome. Here, the evolution of the electronic band structure as a…
In this paper, the electronic properties of 30{\deg} twisted double bilayer graphene, which loses the translational symmetry due to the incommensurate twist angle, are studied by means of the tight-binding approximation. We demonstrate the…
The topological phases of matter provide the opportunity to observe many exotic properties, like the existence of two dimensional topological surface states in the form of Dirac cone in topological insulators, chiral transport through open…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
Band structures of electrons in a periodic potential are well-known to host topologies that impact their behaviors at edges and interfaces. The concept however is more general than the single-electron setting. In this work, we consider…
Optical conductivity [$\sigma(\omega)$] of YbS has been measured under pressure up to 20 GPa. Below 8 GPa, $\sigma(\omega)$ is low since YbS is an insulator with an energy gap between fully occupied 4$f$ state and unoccupied conduction…
Using projector augmented wave approach within the generalized gradient approximation, we have studied the structural property and electronic structure of ZrB12. The calculated lattice constants and bulk modulus are in good agreement with…
Twisted bilayer graphene (TwBLG) is one of the simplest van der Waals heterostructures, yet it yields a complex electronic system with intricate interplay between moir\'{e} physics and interlayer hybridization effects. We report on…
Group IB metal halides (CuX and AgX, X=Cl, Br and I) are widely used in optoelectronic devices and photochemical catalysis due to their appropriate optical and electronic properties. First-principles calculations have confronted…
In the paper, PRB {\bf 77}, 085118 (2008), the authors conclude that the observation of Ti-doping induced half-metallicity in SrRu$_{1-x}$TI$_x$O$_3$ within the limit of local density approximations is not valid as the experimental results…
We study the nature of the electronic states in the intermediate band formed by interstitial titanium in silicon. Our single-site description combines effects of electronic correlations, captured by dynamical mean-field theory, and…
We present linear ensembles of dangling bond chains on a hydrogen terminated Si(100) surface, patterned in the closest spaced arrangement allowed by the surface lattice. Local density of states maps over a range of voltages extending…
Semiconductor glasses exhibit many unique optical and electronic anomalies. We have put forth a semi-phenomenological scenario (J. Chem. Phys. 132, 044508 (2010)) in which several of these anomalies arise from deep midgap electronic states…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
Starting from the tight-binding dielectric matrix in the random phase approximation we examine the collective modes and electron-hole excitations in a two-band electronic system. For long wavelengths (${\bf q}\rightarrow0$), for which most…
It is generally assumed that solid hydrogen will transform into a metallic alkali-like crystal at sufficiently high pressure. However, some theoretical models have also suggested that compressed hydrogen may form an unusual two-component…
Mott insulators with a half-filled band of electrons on the triangular lattice have been recently studied in a variety of organic compounds. All of these compounds undergo transitions to metallic/superconducting states under moderate…