相关论文: Band gap analysis and carrier localization in cati…
ZnGeN2 and other heterovalent ternary semiconductors have important potential applications in optoelectronics, but ordering of the cation sublattice, which can affect the band gap, lattice parameters, and phonons, is not yet well…
In recent years, further improvements in the efficiency of Cu$_2$ZnSn(S,Se)$_4$ photovoltaic devices have been hampered due to several materials issues, including cation disorder. Cu$_2$SnS$_3$ is a promising new absorber material that has…
We study the electronic properties of actual-size graphene nanoribbons subjected to substitutional disorder particularly with regard to the experimentally observed metal-insulator transition. Calculating the local, mean and typical density…
We develop a theory for the compressibility and quantum capacitance of disordered monolayer and bilayer graphene including the full hyperbolic band structure and band gap in the latter case. We include the effects of disorder in our theory,…
Disorder effects on the density of states in carbon nanotubes are analyzed by a tight binding model with Gaussian bond or site disorder. Metallic armchair and semiconducting zigzag nanotubes are investigated. In the strong disorder limit,…
First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density approximation underestimates the band gap, misplaces the…
We investigate the local atomic and electronic structure, thermodynamic stability, and defect chemistry of $A_{6}B_{2}$O$_{17}$ ($A$ = Zr/Hf, $B$ = Nb/Ta) oxides using first-principles density functional theory (DFT) calculations. We…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
Disorder effects on the density of states and electronic conduction in metallic carbon nanotubes are analyzed by a tight binding model with Gaussian bond disorder. Metallic armchair and zigzag nanotubes are considered. We obtain a…
A diagrammatic method is applied to study the effects of commensurability in two-dimensional disordered crystalline metals by using the particle-hole symmetry with respect to the nesting vector P_0={\pm{\pi}/a, {\pi}/a} for a half-filled…
Impurities are unavoidable during the preparation of graphene samples and play an important role in graphene's electronic properties when they are adsorbed on graphene surface. In this work, we study the electronic structures and transport…
The II-IV-N$_2$ class of heterovalent ternary nitrides have gained significant interest as alternatives to the III-nitrides for electronic and optoelectronic applications. In this study, we apply first-principles calculations based on…
This paper introduces a novel method to account for quantum disorder effects into the classical drift-diffusion model of semiconductor transport through the localization landscape theory. Quantum confinement and quantum tunneling in the…
We study numerically the influence of disorder and localization effects on the local spectroscopic characteristics and infrared optical properties of $\mbox{Ga}_{1-x}\mbox{Mn}_x\mbox{As}$. We treat the band structure and disorder effects at…
Electronic structure and band characteristics for zinc monochalcogenides with zinc-blende- and wurtzite-type structures are studied by first-principles density-functional-theory calculations with different approximations. It is shown that…
Using the tight-binding model, we investigate the influence of vacancy disorder on electrical transport in graphene Hall bars in the presence of quantizing magnetic fields. Disorder, induced by a random distribution of monovacancies, breaks…
We study experimentally and theoretically the effects of disorder, nonlinear screening, and magnetism in semiconductor heterostructures containing a $\delta$-layer of Mn, where the charge carriers are confined within a quantum well and…
A theoretical study of the magnetoelectronic properties of zigzag and armchair bilayer graphene nanoribbons (BGNs) is presented. Using the recursive Green's function method, we study the band structure of BGNs in uniform perpendicular…
Conductance fluctuations produced by the presence of disorder in zigzag and armchair graphene nanoribbons are studied. We show that quantum transport in zigzag nanoribbons takes place via edge states which are exponentially localized, as in…
We predict the existence of an intriguing "disorder by order" phenomenon in graphene transport where higher quality (and thus more ordered) samples, while having higher mobility at high carrier density, will manifest more strongly…