Related papers: Narrowing band gap chemically and physically: Cond…
The study of two-dimensional (2D) electronic systems is of great fundamental significance in physics. Atomic layers containing hybridized domains of graphene and hexagonal boron nitride (h-BNC) constitute a new kind of disordered 2D…
Artificially created two-dimensional (2D) interfaces or structures are ideal for seeking exotic phase transitions due to their highly tunable carrier density and interfacially enhanced many-body interactions. Here, we report the discovery…
Cadmium arsenide Cd$_3$As$_2$ hosts massless Dirac electrons in its ambient-conditions tetragonal phase. We report X-ray diffraction and electrical resistivity measurements of Cd$_3$As$_2$ upon cycling pressure beyond the critical pressure…
First-principles calculations for carbyne under strain predict that the Peierls transition from symmetric cumulene to broken-symmetry polyyne structure is enhanced as the material is stretched. Interpretation within a simple and instructive…
A highly conductive metallic gas that is quantum mechanically confined at a solid-state interface is an ideal platform to explore nontrivial electronic states that are otherwise inaccessible in bulk materials. Although two-dimensional…
Recently, C. M. P\'epin \textit{et al.} [Science \textbf{357}, 382 (2017)] reported the formation of several new iron polyhydrides FeH$_x$ at pressures in the megabar range, and spotted FeH$_5$, which forms above 130 GPa, as a potential…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…
Transition of molecular hydrogen to atomic ionized state with increase of temperature and pressure poses still unresolved problems for experimental methods and theory. Here we analyze the dynamics of this transition and show its…
We present a theoretical investigation of the voltage-driven metal insulator transition based on solving coupled Boltzmann and Hartree-Fock equations to determine the insulating gap and the electron distribution in a model system -- a one…
We report first principles numerical discovery of hydrostatic pressure driven tetragonal to collapsed tetragonal transition in 1111-type material ThMnAsN accompanied by simultaneous magneto-structural, insulator to metal transition together…
On the basis of the recently proposed self-consistent theory of metal- insulator transition in strongly disordered systems, taking into account interaction effects, we study transition temperature $T_{c}$ suppression in disordered…
Coupling a normal metal wire to a superconductor induces an excitation gap in the normal metal. In the absence of disorder, the induced excitation gap is strongly suppressed by finite-size effects if the thickness of the superconductor is…
Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…
Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…
The electronic band structure of atomically thin semiconductors can be tuned by the application of a perpendicular electric field. The principle was demonstrated experimentally shortly after the discovery of graphene by opening a finite…
Optical measurements under externally applied stresses allow us to study the materials' electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the…
Advancement of optoelectronic and high-power devices is tied to the development of wide band gap materials with excellent transport properties. However, bipolar doping (n-type and p-type doping) and realizing high carrier density while…
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
Graphene is a sturdy and chemically inert material exhibiting an exposed two-dimensional electron gas of high mobility. These combined properties enable the design of graphene composites either based on covalent or non- covalent coupling of…