相关论文: Band Anticrossing in Dilute Germanium Carbides Usi…
Halide double perovskites have gained significant attention, owing to their composition of low-toxicity elements, stability in air and long charge-carrier lifetimes. However, most double perovskites, including Cs2AgBiBr6, have wide…
A$_2$BB$^\prime$X$_6$ halide double perovskites based on bismuth and silver have recently been proposed as potential environmentally-friendly alternatives to lead-based hybrid halide perovskites. In particular, Cs$_2$BiAgX$_6$ (X = Cl, Br)…
The recent experimental synthesis of 2D graphitic C3N5 has attracted lot of interests in its electronic and optical properties and its comparison with other graphitic C3N4 and C3N3. To this end, we performed DFT calculations using more…
In this work, we theoretically propose and experimentally demonstrate the formation of a super bound state in a continuum (BIC) on a photonic crystal flat band. This unique state simultaneously exhibits an enhanced quality factor and…
Collisions between electrons and holes can dominate the carrier scattering in clean graphene samples in the vicinity of charge neutrality point. While electron-hole limited resistance in pristine gapless graphene is well-studied, its…
Germanium and silicon-germanium alloys have found entry into Si technology thanks to their compatibility with Si processing and their ability to tailor electronic properties by strain and band-gap engineering. Germanium's potential to…
We present a comprehensive first-principles investigation of optical, transport, and thermoelectric properties of pure and doped hexagonal Si$_x$Ge$_{1-x}$ alloys based on density-functional theory calculations, the Boltzmann transport…
A remarkable property of intrinsic graphene is that upon doping, electrons and holes travel through the monolayer thick material with constant velocity which does not depend on energy up to about $0.3$ eV (Dirac fermions), as though the…
We develop an atomistic, nearest-neighbor sp3s* tight-binding Hamiltonian to investigate the electronic structure of dilute bismide alloys of GaP and GaAs. Using this model we calculate that the incorporation of dilute concentrations of Bi…
We develop a class of supercell photonic crystals supporting complete photonic bandgaps based on breaking spatial symmetries of the underlying primitive photonic crystal. One member of this class based on a two-dimensional honeycomb…
A study of possible superconducting phases of graphene has been constructed in detail. A realistic tight binding model, fit to ab initio calculations, accounts for the Li-decoration of graphene with broken lattice symmetry, and includes $s$…
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…
UVA to NIR with multi-directional photo responses have been found on metal (Au)/n-Si device. A reasonable explanation has not been found in various physical models of Si-devices for the phenomena. We approached a zero-gap at X (reciprocal…
The transition between gapped (semiconducting) and gapless (metallic) phases and tunability of bandgap in materials is a very lucrative yet considerably challenging goal for new-age device preparation. For bulk materials and for…
In this work, the energy band structures of BGaN and BAlN alloys are systematically studied through first-principles calculation using HSE hybrid density functional theory by MedeA-VASP. Direct-indirect bandgap transition of BGaN alloys at…
Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier…
Structural and electronic properties of zinc blende TlxIn(1-x)N alloy have been evaluated from first principles. The band structures have been obtained within the density functional theory (DFT), the modified Becke-Johnson (MBJLDA) approach…
By means of the first-principles calculations combined with the tight-binding approximation, the strain-induced semiconductor-semimetal transition in graphdiyne is discovered. It is shown that the band gap of graphdiyne increases from 0.47…
We study the properties of edge states in in-plane heterostructures made of adjacent zigzag graphene and BN ribbons. While in pure zigzag graphene nanoribbons, gapless edge states are nearly flat and cannot contribute significantly to the…
Monolayers of transition metal dichalcogenides (TMDCs) exhibit an exceptionally strong Coulomb interaction between charge carriers due to the two-dimensional carrier confinement in connection with weak dielectric screening. High densities…