相关论文: Revisiting the Formulation of Charged Defect in So…

We demonstrate a novel method of introducing point defects (mono and di-vacancies) in a confined mono-layer colloidal crystal by manipulating individual particles with optical tweezers. Digital video microscopy is used to study defect…

We establish a Penrose-like inequality for general (not necessarily time-symmetric) initial data sets of the Einstein-Maxwell equations, which satisfy the dominant energy condition. More precisely, it is shown that the ADM energy is bounded…

A first principles calculation of the quantum corrections to the electric charge of a dyon in an N=2 gauge theory with arbitrary gauge group is presented. These corrections arise from the fermion fields via the mechanism of fermion…

Understanding defect evolution is essential to the structural stability of quasicrystals, yet the kinetics of defect repair remain poorly understood. Here, by combining the string method and the spring pair method, we determine the minimum…

We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic…

We present an improved method to calculate defect formation energies that overcomes the band-gap problem of Kohn-Sham density-functional theory (DFT) and reduces the self-interaction error of the local-density approximation (LDA) to DFT. We…

We present a unified framework for the calculation of defect energies for those defects that can be represented as a superposition of isolated dislocations, and obtain both self and interaction energies of combinations of grain boundaries…

Two-dimensional (2D) materials are strongly affected by the dielectric environment including substrates, making it an important factor in designing materials for quantum and electronic technologies. Yet, first-principles evaluation of…

We investigate the geometry of four dimensional black hole solutions in the presence of stringy higher curvature corrections to the low energy effective action. For certain supersymmetric two charge black holes these corrections drastically…

It is shown that the elastic energy far from a point defect in an isotropic solid is mainly shear elastic energy. The calculation, which is based on a standard dipole expansion, shows that no matter how large or small the bulk modulus is…

We study supersymmetric field theories in three space-time dimensions doped by various configurations of electric charges or magnetic fluxes. These are supersymmetric avatars of impurity models. In the presence of additional sources such…

The LDA-1/2 method expands Slater's half occupation technique to infinite solid state materials by introducing a self-energy potential centered at the anions to cancel the energy associated with electron-hole self-interaction. To avoid an…

We report the computation of the Standard Hamiltonian of a coupled electron-phonon system by accurately computing the electron-phonon interaction (EPI) contribution to the total energy. This gives the most accurate ab initio total energy…

Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order perturbation theory (MP2) diverges in the thermodynamic limit.…

We present a method to efficiently combine the computation of electron-electron and electron-phonon self-energies, which enables the evaluation of electron-phonon coupling at the $G_0W_0$ level of theory for systems with hundreds of atoms.…

In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…

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.…

The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the…

The electromagnetic corrections to the low energy scattering amplitude involving charged pions only are investigated at leading and next-to-leading orders in the two-flavour chiral expansion. As an application, the corresponding variation…

Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…