相关论文: Vacancy-Impurity Nanoclusters in Solid Solutions $…
Large-scale and gap error free calculations of the electronic structure of vacancies in 4H-SiC have been carried out using a hybrid density functional (HSE06) and an accurate charge correction scheme. Based on the results the carbon vacancy…
It is shown that Bose-Einstein condensation occurs for an ideal gas in two spatial dimensions in the presence of one impurity which is described quantum mechanically in terms of a point-like vortex and a contact interaction. This model is…
Grain boundaries (GBs) are defects originating in multi-crystalline silicon during crystal growth for device Si solar cell fabrication. The presence of GBs changes the coordination of Si, making it advantageous for charge carriers to…
Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy X$-$ray diffraction, single-crystal X$-$ray diffraction, and density-functional theory based electronic-structure methods that address disorder and…
A model for classical impurities moving in Bose-Einstein Condensate (BEC) is proposed in the framework of quantum field theory and is solved within the Bogoliubov approximation at zero temperature. Several formulae are obtained for physical…
The final state of the gravitational collapse of a marginally bound dust cloud is formulated in terms of an existence problem for the non-linear differential equation governing radial null geodesics near the singular point. Rigorous results…
It has previously been proven that finding the globally minimum energy configuration of an atomic cluster belongs in the class of NP-hard problems. However, this proof is limited only to homonuclear clusters. This paper presents a new proof…
By imposing suitable junction conditions on a space-like hyper-surface, we obtain a two-parameter family of possible static configurations from gravitational collapse. These exemplify a new class of naked singularities. We show that these…
It is pointed out that simulation computation of energy performed so far cannot be used to decide if the ground state of solid 4He has the number of lattice sites equal to the number of atoms (commensurate state) or if it is different…
We investigated the electronic structure of the vacancy-ordered 4d-transition metal monoxide NbO (Nb3O3) using angle-integrated soft- and hard-x-ray photoelectron spectroscopy as well as ultra-violet angle-resolved photoelectron…
We propose that impurities in Bose-Einstein condensates can serve as a minimal laboratory system to explore the effects of quantum and thermal fluctuations on solvation. Specifically, we show that the role of quantum fluctuations in the…
Using ab-initio calculations based on density functional theory, we investigate the effects of vacancies on the electronic and magnetic properties of zigzag SiC nanoribbons (Z-SiCNR). Single (V_C and V_Si) and double (V_SiV_Si and V_SiV_C)…
Ab initio Perturbed Ion cluster-in-the-lattice calculations of the impurity centers NaI:Tl+ and CsI:Tl+ are pressented. We study several active clusters of increasing complexity and show that the lattice relaxation around the Tl+ impurity…
We use molecular dynamics with an embedded atom potential to study the behavior of palladium nanoclusters near the melting point in the microcanonical ensemble. We see transitions from both fcc and decahedral ground state structures to…
In a previous paper, some of us studied general relativistic homogeneous gravitational collapses for dust and radiation, in which the density profile was replaced by an effective density justified by some quantum gravity models. It was…
Impurity nuclear spin relaxation is studied theoretically. A single impurity generates a bound state localized around the impurity atom in unconventional superconductors. With increasing impurity potential, the relaxation rate $T_1^{-1}$ is…
We perform self-consistent Hartree calculations for a model of A_{3-x}C_{60} (A= K, Rb) to study the effects of the presence of vacancies. We find that the strong vacancy potential is very efficiently screened and that the density of states…
Nanoparticles with "sticky patches" have long been proposed as building blocks for the self-assembly of complex structures. The synthetic realizability of such patchy particles, however, greatly lags behind predictions of patterns they…
Quantum simulators hold the promise of probing central questions of high-energy physics in tunable condensed matter platforms, for instance the physics of confinement. Local defects can be an obstacle in these setups harming their…
In this work, a Maxwell-Higgs system is coupled to a neutral scalar field that engenders $Z_2$ symmetry. At critical coupling, the resulting field equations may be identified with those of a Maxwell-Higgs model doped with an impurity whose…