相关论文: Negative-U properties for substitutional Au in Si
Polarized negative muons were used to study the behaviour of the boron acceptor centre in synthetic diamond produced by the chemical vapour deposition (CVD) method. The negative muon substitutes one of the electrons in a carbon atom, and…
Defects in semiconductors acting as optically active spin qubits are intriguing objects of fundamental study and future technological developments. These defect-based color centers are of particular interest for detection and response to…
Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…
Scanning tunneling microscope data from a dinuclear Co(II) complex adsorbed on Au(111) are analysed using density functional theory calculations. We find that the interaction with the substrate substantially changes the geometry of the…
Due to their technological importance, point defects in silicon are among the best studied physical systems. The experimental examination of point defects buried in bulk is difficult and evidence for the various defects usually indirect.…
We analyze the phase transitions of an interacting electronic system weakly coupled to free-electron leads by considering its zero-bias conductance. This is expressed in terms of two effective impurity models for the cases with and without…
Magnetism in bare uncapped gold nano-clusters is explored from a density functional theory perspective with scalar relativistic effects included via the pseudo-potential. The computed electronic structures of various nano-clusters reveal…
A repulsive Hubbard model with both spin-asymmetric hopping (${t_\uparrow\neq t_\downarrow}$) and a staggered potential (of strength $\Delta$) is studied in one dimension. The model is a compound of the mass-imbalanced (${t_\uparrow\neq…
The hole energy spectrum with the ion of an acceptor impurity in the quantum dot has been calculated using the spherical approximation of the multiband Luttinger model. The dependence of the hole energy levels on the impurity location in…
The photovoltaic characteristics of an ultra-thin GaAs solar cell with gold back reflector are simulated using the standard semi-classical drift-diffusion-Poisson model and an advanced microscopic quantum-kinetic approach based on the…
Second electron affinities of Au_N and Ag_N clusters and the dissociation energies for fission of the Au_N^{2-} and Ag_N^{2-} dianions are calculated using the finite-temperature shell-correction method and allowing for triaxial…
We investigate spin and optical properties of individual nitrogen-vacancy centers located within 1-10 nm from the diamond surface. We observe stable defects with a characteristic optically detected magnetic resonance spectrum down to lowest…
A significant hurdle in developing high-performance semiconductor quantum technologies utilizing deep defects is related to charge dynamics. Unfortunately, progress in modeling their charge dynamics has been hindered over recent decades due…
The properties of the absorbing states of non-equilibrium models belonging to the conserved directed percolation universality class are studied. We find that at the critical point the absorbing states are hyperuniform, exhibiting…
This paper deals with a significant family of compounds predicted by simplistic electronic structure theory to be metals but are, in fact, insulators. This false metallic state has been traditionally attributed in the literature to reflect…
With the use of theory developed earlier, bulk effects in ultracold neutron coherent inelastic scattering are considered both for solid and liquid target samples related to energy and momentum exchange with phonon and diffusion-like modes.…
We study the central charge of the deformed N=(1,0) supersymmetry algebra in non(anti)commutative N=2 supersymmetric U(N) gauge theory. In the cases of N=1/2 superspace and N=2 harmonic superspace with the singlet deformation, we find that…
A comprehensive description of the optical cycle of spin defects in solids requires the understanding of the electronic and atomistic structure of states with different spin multiplicity, including singlet states which are particularly…
Negatively charged silicon vacancy centers (SiV$^-$) in diamond exhibit excellent spin coherence and optical properties, making them promising candidates for quantum technologies. However, the strain-induced inhomogeneous distribution of…
We review recent advances towards the realization of quantum networks based on atom-like solid-state quantum emitters coupled to nanophotonic devices. Specifically, we focus on experiments involving the negatively charged silicon-vacancy…