Related papers: Bulk and nano GaN: Role of Ga d states
GaN is a wide-bandgap semiconductor used in high-efficiency LEDs and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapour phase, and oxygen may be included at this stage. Oxidation represents…
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…
A stochastic cumulant GW method is presented, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes and emergence of collective excitations from molecules to bulk-like systems with up to thousands of…
Quantum-dot states in graphene nanoribbons (GNR) were calculated using density-functional theory, considering the effect of the electric field of gate electrodes. The field is parallel to the GNR plane and was generated by an inhomogeneous…
We investigate the effect of basal-plane stacking faults on the structural, electronic, and polarization properties of wurtzite GaN and ZnO. This theoretical study is performed within density-functional theory (DFT) using periodic hexagonal…
Glueballs are particles whose valence degrees of freedom are gluons and therefore in their description the gauge field plays a dominant role. We review recent results in the physics of glueballs with the aim set on phenomenology and discuss…
Raman measurements are performed on defect-free wurzite GaP nanowires. Resonance Raman measurements are carried out over the excitation energy range between 2.19 and 2.71 eV. Resonances at 2.38 eV and 2.67 eV of the E1(LO) mode and at 2.67…
We study quantum interference corrections to the conductivity in (Ga,Mn)As ferromagnetic semiconductors using a model with disordered valence band holes coupled to localized Mn moments through a p-d kinetic-exchange interaction. We find…
We utilize a single atom substitution technique with spectroscopic imaging in a scanning tunneling microscope (STM) to visualize the anisotropic spatial structure of magnetic and non-magnetic transition metal acceptor states in the GaAs…
Recently developed model allows for simulations of electric field influence on the surface states. The results of slab simulations show considerable change of the energy of quantum states in the electric field, i.e. Stark Effect associated…
Theoretical calculations in the framework of Kane model have been carried out in order to elucidate the role of interband mixing in forming the energy spectrum of two-dimensional carriers, localized in a surface quantum well in narrow gap…
We present a detailed theoretical analysis of the electronic structure of $c$-plane InGaN/GaN quantum wells with indium contents varying between 10\% and 25\%. The electronic structure of the quantum wells is treated by means of an…
The dependence of valence band structures of Ge$_{1-x}$Sn$_x$ with 0 $\leq$ $x$ $\leq$ 0.2 on Sn content, biaxial strain, and substrate orientation is calculated using the nonlocal empirical pseudopotential method. The first valence subband…
Two types of nucleation layers (NLs), including in-situ low-temperature grown GaN (LT-GaN) and ex-situ sputtered physical vapor deposition AlN (PVD-AlN), are applied on cone-shaped nanoscale patterned sapphire substrate (NPSS). The initial…
We studied the structural and the electronic properties of small Mo clusters (n = 2 ~ 8) via projector augmented wave pseudopotential calculations using plane wave basis functions. Our results show that the 4s- and 4p-semicore states play…
Grazing incidence anomalous x-ray scattering was used to monitor in situ the molecular beam epitaxy growth of GaN/AlN quantum dots (QDs). The strain state was studied by means of grazing incidence Multi-wavelength Anomalous Di raction (MAD)…
We study the problem of impurities and mid-gap states in a biased graphene bilayer. We show that the properties of the bound states, such as localization lengths and binding energies, can be controlled externally by an electric field…
Strain-engineered transition-metal dichalcogenide nanobubbles are promising platforms for quantum emission, as revealed by recent experimental observations. In this work, we present an \textit{ab initio} investigation of MoS$_2$, WS$_2$,…
The spread of valence band Wannier functions in semiconductors and insulators is a characteristic property that gives a rough estimation of how insulating is the material. We elaborate that the gauge-invariant part of the spread can be…
This study investigates the strong photoluminescence (PL) and X-ray excited optical luminescence observed in nitrogen-functionalized 2D graphene nanoflakes (GNFs:N), which arise from the significantly enhanced density of states in the…