Related papers: Half-filled intermediate bands Si material formed …
We consider a multiband metal with deep primary bands and a shallow secondary one. In the normal state the system undergoes Lifshitz transition when the bottom of the shallow band crosses the Fermi level. In the superconducting state Cooper…
Nonequilibrium conditions offer novel routes to superconductivity that are not available at equilibrium. For example, by engineering nonequilibrium electronic populations, pairing may develop between electrons in different energy bands. A…
Utilizations of silicon-based luminescent devices are restricted by the indirect-gap nature of diamond silicon. In this study, the high-throughput method is employed to expedite discoveries of direct-gap silicon crystals. The machine…
The electronic structure of interstitial hydrogen in a compound semiconductor FeS$_2$ (naturally $n$-type) is inferred from a muon study. An implanted muon (Mu, a pseudo-hydrogen) forms electronically different defect centers discerned by…
The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation of He as a possible route to form a direct band gap in Si.…
Using Kohn-Sham wave functions and their energy levels obtained by density-functional-theory total-energy calculations, the electronic structure of the two c(2x2) phases of Na on Al(001) are analysed; namely, the metastable hollow-site…
The band gap of alkali halides, alkaline-earth oxides, Al2O3 and SiO2 crystals has been calculated using the Perturbed-Ion model supplemented with some assumptions for the treatment of excited states. The gap is calculated in several ways:…
We study effects of infrared radiations on a two-dimensional BCS superconductor coupled with a normal metal substrate through a tunneling barrier. The phase transition conditions are analyzed by inspecting stability of the system against…
We introduce a real-space approach to understand the relationship between optical absorption and crystal structure. We apply this approach to alternative phases of silicon, with a focus on the Si$_{20}$ crystal phase as a case study. We…
Orbital degeneracy of the electronic conduction band edge in silicon is a potential roadblock to the storage and manipulation of quantum information involving the electronic spin degree of freedom in this host material. This difficulty may…
A new two-pole approximation, which allows to describe the transition from an insulating state to a metallic one at increase of bandwidth, and also the observable in some compounds transition from a metalic state to an insulating one with…
Discovery of superconductivity in the impurity band formed by heavy doping of boron into diamond (C:B) as well as doping of boron into silicon (Si:B) has provided a rout for the possibility of new families of superconducting materials.…
Recently, man-made dielectric materials composed of finite-sized dielectric constituents have emerged as a promising platform for quasi-bound states in the continuum (QBICs). These states allow for an extraordinary confinement of light…
The theoretical maximum efficiency of a solar cell is typically characterized by a detailed balance of optical absorption and emission for a semiconductor in the limit of unity radiative efficiency and an ideal step-function response for…
A mesoscopic system of indirect dipolar bosons trapped by a harmonic potential is considered. The system has a number of physical realizations including dipole excitons, atoms with large dipolar moment, polar molecules, Rydberg atoms in…
This paper deals with a significant family of compounds predicted by simplistic electronic structure theory to be metals but are, in fact, insulators. This false metallic state has been traditionally attributed in the literature to reflect…
The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synthesis of SiC supported graphene. In this work, we explore…
Density-functional calculations are used to identify one-atom-thick metallic In overlayers on the Si(111) surface, which have long been sought in quest of the ultimate two-dimensional (2D) limit of free-electron-like metallic properties. We…
Solid-state spin qubits within silicon crystals at mK temperatures show great promise in the realisation of a fully scalable quantum computation platform. Qubit coherence times are limited in natural silicon owing to coupling to the isotope…
The XYZ half-Heusler crystal structure can conveniently be described as a tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X species. This description is well suited to understand the electronic structure of…