相关论文: Acceptor and donor impurities in GaN nanocrystals

A spherical quantum dot (QD) heterosystem CdS/SiO$_2$ has been studied. Each QD has a hydrogen-like impurity in its center. Besides that, it has been accounted that a polarization trap for electron exists at the interfaces due to the…

The spatial distribution of the local density of states (LDOS) at Mn acceptors near the (110) surface of p-doped InAs is investigated by Scanning Tunneling Microscopy (STM). The shapes of the acceptor contrasts for different dopant depths…

Recently, new quantum features have been observed and studied in the area of nanostructured layers. Nanograting on the surface of the thin layer imposes additional boundary conditions on the electron wave function and induces G-doping or…

The energy position of the optical absorption edge and the free carrier populations in InxGa1-xN ternary alloys can be controlled using high energy 4He+ irradiation. The blue shift of the absorption edge after irradiation in In-rich…

The nitrogen-vacancy (NV) center in diamond is the prototype quantum defect that enables a variety of diamond-based quantum technologies. However, charge-state instability and spectral diffusion, often induced by substitutional nitrogen…

We report on a detailed study of the intensity dependent optical properties of individual GaN/AlN Quantum Disks (QDisks) embedded into GaN nanowires (NW). The structural and optical properties of the QDisks were probed by high spatial…

The role of Cr incorporation into the ZnO were probed through investigations into the structural, optical and magnetic properties. Zn1-xCrxO with x = 0, 0.01, 0.03 and 0.05, nanoparticles were prepared by solution combustion method. Powder…

The problem of an impurity electron in a quantum ring (QR) in the presence of a radially directed strong external electric field is investigated in detail. Both an analytical and a numerical approach to the problem are developed. The…

We report on time-dependent density functional theory (TDDFT) calculations of the excited states of 63 different graphene quantum dots (GQDs) in square shape with side lengths 1 nm, 1.5 nm and 2 nm. We investigate the systematics and trends…

We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlation between the incorporation of acceptors (Mn, Zn) and…

High quality graphene nanoribbons (GNRs) grown by on-surface synthesis strategies with atomic precision can be controllably doped by inserting heteroatoms or chemical groups in the molecular precursors. Here, we study the electronic…

We study the structure, the formation and binding energies and the transfer levels of the zinc-phosphorus vacancy complex [Zn_In - V_P] in Zn doped p-type InP, as a function of the charge, using plane wave ab initio DFT-LDA calculations in…

We present a computational study of individual and pairs of substitutional Mn impurities on the (110) surface of GaAs samples based on density functional theory. We focus on the anisotropy properties of these magnetic centers and their…

Two-dimensional (2d) nano-electronics, plasmonics, and emergent phases require clean and local charge control, calling for layered, crystalline acceptors or donors. Our Raman, photovoltage, and electrical conductance measurements combined…

The isolated substitutional gold impurity in bulk silicon is studied in detail using electronic structure calculations based on density-functional theory. The defect system is found to be a non-spin-polarized negative-U centre, thus…

Using first-principles density functional theory method, we have investigated the distribution and magnetism of doped Mn atoms in the vicinity of the 3 (112) grain boundary in Ge. We find that at low concentration, the substitutional sites…

The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions. We find that, due to the surface corrugation induced by…

We study the optical conductivity in the III-V diluted magnetic semiconductor GaMnAs and compare our calculations to available experimental data. Our model study is able to reproduce both qualitatively and quantitatively the observed…

We investigate the adsorption of the nucleic acid bases, adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U) on the outer wall of a high curvature semiconducting single-walled boron nitride nanotube (BNNT) by first principles…

This paper assesses the effects of Ge-doping on the structural and optical (band-to-band and intersubband (ISB)) properties of GaN/AlGaN multi-quantum wells (QWs) designed to display ISB absorption in the short-wave, mid- and far-infrared…