Related papers: Band Anticrossing in Dilute Germanium Carbides Usi…
We study the effect of uniaxial strain on the electronic band structure of gapped graphene. We consider two types of gapped graphene, one which breaks the symmetry between the two triangular sublattices (staggered model), and another which…
It has been recently shown that the competition between unscreened Coulomb and Fr\"{o}hlich electron-phonon interactions can be described in terms of a short-range spin exchange $J_p$ and an effective on-site interaction $\tilde{U}$ in the…
A graphene antidot lattice, created by a regular perforation of a graphene sheet, can exhibit a considerable band gap required by many electronics devices. However, deviations from perfect periodicity are always present in real experimental…
Excited electrons in the conduction band of germanium collect into four energy minima, or valleys, in momentum space. These local minima have highly anisotropic mass tensors which cause the electrons to travel in directions which are…
We present the first observations of zero-n bandgaps in photonic crystal superlattices consisting of alternating stacks of negative index photonic crystals and positive index dielectric materials in the near-infrared. Guided by ab initio…
We calculate the band structure and the conductance of periodic corrugated graphene nanoribbons within the framework of the tight-binding $p$-orbital model. We consider corrugated structures based on host ribbons with armchair and zigzag…
Germanium-silicon-germanium (Ge/Si$_{x}$Ge$_{1-x}$) heterostructures have emerged as a promising platform for hole-spin quantum technologies and high-mobility electronics, where strain and quantum confinement strongly reshape the Ge valence…
Novel hollow-core THz waveguides featuring hyperuniform disordered reflectors are proposed, fabricated, and characterized. The reflector comprise aperiodically positioned dielectric cylinders connected with dielectric bridges. The proposed…
The band structures of bulk transition metal dichalcogenides ReS2 and ReSe2 are presented, showing the complicated nature of the interband transitions in these materials, with several close-lying band gaps. Three-dimensional plots of…
The performance of two modern density-functionals, HSE06 and TB-mBJ, on predicting electronic structures of metal oxides, chalcogenides and nitrides, is studied in terms of band gaps, band structure and projected density-of-states. Contrary…
We study photonic band gap formation in two-dimensional high refractive index disordered materials where the dielectric structure is derived from packing disks in real and reciprocal space. Numerical calculations of the photonic density of…
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.…
The band gaps of a few selected semiconductors/insulators are obtained from the self-consistent solution of the Hedin's equations. Two different schemes to include the vertex corrections are studied: (i) the vertex function of the…
Using the GW approximation, we study the electronic structure of the recently synthesized hydrogenated graphene, named graphane. For both conformations, the minimum band gap is found to be direct at the $\Gamma$ point, and it has a value of…
The phase space for graphene's minimum conductivity $\sigma_\mathrm{min}$ is mapped out using Landauer theory modified for scattering using Fermi's Golden Rule, as well as the Non-Equilibrium Green's Function (NEGF) simulation with a Monte…
We present a combined experimental and theoretical analysis of the evolution of the near-band gap electronic and optical properties of Si$_{x}$Ge$_{1-x-y}$Sn$_{y}$ alloys lattice-matched to Ge and GaAs substrates. We perform…
The electrical conductivity of suspended graphene has recently been measured for the first time, and found to behave as \sigma ~ \sqrt{|n|} as expected for Dirac quasiparticles at large carrier density. The charge inhomogeneity is strongly…
In our previous study, we have predicted the novel two-dimensional honeycomb monolayers of pnictogen. In particular, the structure and properties of the honeycomb monolayer of nitrogen, which we call nitrogene, are very unusual. In this…
Using first-principles calculations combined with a semi-empirical van der Waals dispersion correction, we have investigated structural parameters, mixing enthalpies, and band gaps of buckled and planar few-layer In$_x$Ga$_{1-x}$N alloys.…
Using first principles calculations, we study the conduction band alignment, effective mass, and Fermi surface complexity factor of n-type Mg3Sb2-xBix (x = 0, 1, and 2) from the full ab initio band structure. We find that with increasing…