Related papers: Theoretical model of structure-dependent conductan…
The Kronig-Penney model is used to Study the effect of nonlinear interaction on the transmissive properties of both ordered and disordered chains. In the ordered case, the nonlinearity can either localize or delocalize the electronic states…
In this work the effect of Carbon and Aluminium doping on the multiband MgB2 superconductor is analyzed. Using the rigid band and virtual crystal approximations (RBA and VCA), it was found that the main effect of doping on the band…
We explore a novel transport phenomenon by studying the effect of surface disorder on electron transport through a finite size conductor with side coupled metallic electrodes. In the strong disorder regime the current amplitude increases…
The exceptional ability of carbon to form sp2 and sp3 bonding states leads to a great structural and chemical diversity of carbon-bearing phases at non-ambient conditions. Here we use laser-heated diamond anvil cells combined with…
The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the…
We investigate the effects of alloying and growth orientation on the properties of the ultra-wide bandgap semiconductor \beta-Ga2O3 and pseudomorphic AlGaO alloy heterojunctions. Band offsets are computed from first principles using density…
While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…
Angular perturbations modify the band structure of armchair (and other metallic) carbon nanotubes by breaking the tube symmetry and may induce a metal-semiconductor transition when certain selection rules are satisfied. The symmetry…
The electronic band structure of yttrium sesquicarbide Y2C3(Pu2C3 structural type) reported by Akimitsu et al. (2003) as a novel 18-K superconductor is investigated using the first-principle full-potential LMTO method and compared with…
We study a two-dimensional heterostructure comprised of a monolayer of the magnetic insulator chromium triiodide (CrI$_3$) on a superconducting lead (Pb) substrate. Through first-principles computation and a tight-binding model, we…
We report the production and characterization of a form of amorphous carbon films with sp/sp2 hybridization (atomic fraction of sp hybridized species > 20%) where the predominant sp bonding appears to be (=C=C=)n cumulene. Vibrational and…
Quantum Hall edge states in proximity to a superconductor (SC) usually acquire a non-quantized electron-to-hole conversion probability in transport, due to non-universal SC couplings and disorders. With counter-propagating modes, we show…
Band structure calculations for Ba_2Cu_3O_4Cl_2 within the local density approximation (LDA) are presented. The investigated compound is similar to the antiferromagnetic parent compounds of cuprate superconductors but contains additional…
Two-mode valence electron configuration of carbon atoms lays the foundation of the unique two-mode amorphous state of the monoatomic carbon solid. From the fundamentals of solid-state physics, sp$^3$ and sp$^2$ amorphous carbons are two…
In multiband superconductivity, the case where the single electron hopping between different Fermi surface spots of different symmetry is forbidden by selection rules is recently attracting a large interest. The focus is addressed to…
We explore the interplay of a charge density wave (CDW) order and s-wave superconductivity (sSC) in a disordered system. Recent experiments on 1T-TiSe_2, where the pristine sample has a commensurate CDW order and the superconductivity…
We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…
The fascinating electronic properties of the family of layered organic molecular crystals kappa-(BEDT-TTF)2X where X is an anion (e.g., X=I3, Cu[N(CN)2]Br, Cu(SCN)2) are reviewed. These materials are particularly interesting because of…
Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed…
We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict that substitutional (at oxygen sites) and interstitial (at…