Related papers: Band offset determination of the GaAs/GaAsN interf…
The article presents a mapping of the residual strain along the axis of InAs/InSb heterostructured nanowires. Using confocal Raman measurements, we observe a gradual shift in the TO phonon mode along the axis of these nanowires. We…
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…
I present a systematic study of self-assembled InAs/InP and InAs/GaAs quantum dots single particle and many body properties as a function of quantum dot-surrounding matrix valence band offset. I use an atomistic, empirical tight-binding…
In this Letter, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed…
We perform a first principles investigation of Si/ZnS interface properties for the [111], [100], and [110] directions, including single-substitution polar-compensated interfaces. The asymmetry of general interface directions poses known…
In this paper we propose an analytical method to calculate the band structures of graphene-like nanoribbons of the armchair type with arbitrary line defects or uniaxial strains. The model is based on the tight-binding model and the standing…
We present here a fully first-principles method for predicting the atomic structure of interfaces. Our method is based on the {\it ab initio} random structure searching (AIRSS) approach, applied here to treat two dimensional defects. The…
In order to use graphene for semiconductor applications, such as transistors with high on/off ratios, a band gap must be introduced into this otherwise semimetallic material. A promising method of achieving a band gap is by introducing…
InAs/GaSb and similar materials systems have generated great interest as a heterojunction for tunnel field effect transistors (TFETs) due to favorable band alignment. However, little is currently understood about how such TFETs are affected…
Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes which causes a band gap to open up around…
We present ab-initio studies of band offsets, formation energy, and stability of (100) heterojunctions between (Zn,Be)(Se,Te) zincblende compounds, and in particular of the lattice-matched BeTe/ZnSe interface. Equal band offsets are found…
Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT+CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron…
Studying the distribution and properties of ionised gas in outflows driven by AGN is crucial for understanding the feedback mechanisms at play in extragalactic environments. In this study, we explore the connection between ionised outflows…
Recent experimental advances in using strain engineering to significantly alter the band structure of moderately correlated systems offer opportunities and challenges to weak-coupling renormalization group (RG) analysis approaches for…
Density functional theory simulations were used to obtain physical properties of GaN/AlN system. Combination of these two compounds into multiquantum well (MQW) structure will induce strong electrostatic effect leading to emergence of high…
The core-level and valence band electronic structure of the well-defined near-surface layer of n-GaAs (100) has been studied by synchrotron-based high-resolution photoelectron spectroscopy before and after modification of the layer by an…
To explain the properties of the local galaxy population, theoretical models require active galactic nuclei (AGN) to inject energy into host galaxies, thereby expelling outflows of gas that would otherwise form stars. Observational tests of…
We show that for graphene with any finite difference in the on-site energy between the two sub-lattices ($\Delta$), The optical absorption edge is determined by the $\Delta$. The universal conductance will be broken and the conductance near…
Strain fold-like deformations on armchair graphene nanoribbons (AGNRs) can be properly engineered in experimental setups, and could lead to a new controlling tool for gaps and transport properties. Here, we analyze the electronic properties…
Ga$_2$O$_3$ and (Al$_x$Ga$_{1-x}$)$_2$O$_3$ alloys are promising materials for solar-blind UV photodetectors and high-power transistors. Basic key parameters in the device design, such as band gap variation with alloy composition and band…