相关论文: Ab initio investigation on oxygen defect clusters …

Neutrinos, and primarily neutrino oscillations, have undoubtedly been one of the most exciting topics in the field of high-energy physics over the past few years. The existence of neutrino oscillations would require an extension of the…

We consider the neutrino physics of models with a sequentially broken U(2) flavor symmetry. Such theories yield the observed pattern of quark and lepton masses, while maintaining sufficient degeneracies between superparticles of the first…

We present a density-functional theory based Wulff construction of the equilibrium shape of RuO2 particles in an oxygen environment. The obtained intricate variations of the crystal habit with the oxygen chemical potential allow for a…

After 20 years of research the low energy physics of cuprates remains a mystery. It is generally accepted that a three band Hamiltonian with Cu's and O's orbitals should contain the essential physics so we can say that there is consensus at…

Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…

This paper introduces the historical development of the symmetries for describing magnetic structures culminating in the derivation of the black and white and colored space groups. Beginning from the Langevin model of the Curie law, it aims…

We perform ab initio calculations, based on density functional theory, of substitutional and vacancy defects in the monoclinic hafnium oxide (m-HfO2) and alpha-quartz (SiO2). The neutral oxygen vacancies and substitutional Si and Hf defects…

The structure of the moduli space of N=1 supersymmetric gauge theories is analyzed from an algebraic geometric viewpoint. The connection between the fundamental fields of the ultraviolet theory, and the gauge invariant composite fields of…

Topological defects attract much recent interest in high-energy and condensed matter physics because they encode (non-invertible) symmetries and dualities. We study codimension-1 topological defects from a hamiltonian point of view, with…

We study the decoherence induced by the environment over a composite quantum system, comprising two coupled subsystems A and B, which may be a harmonic or an upside-down oscillators. We analyze the case in which the B-subsystem is in direct…

Neutron star observations, as well as experiments on neutron-rich nuclei, used to motivate one to look at degenerate nuclear matter from its extreme, namely, pure neutron matter. As an important next step, impurities and clusters in dilute…

The recent discovery of superconductivity in La3Ni2O7-{\delta} under high pressure with a transition temperature around 80 K has sparked extensive experimental and theoretical efforts. Several key questions regarding the pairing mechanism…

Motivated by generalized uncertainty principle, we derive a discrete picture of the space that respects Lorentz symmetry as well as gauge symmetry through setting an equivalency between linear GUP correction term and electromagnetic…

Using highly correlational quantum chemistry we compute from first principles the contributions of the electric dipoles and quadupoles, and magnetic dipoles to the nonlinear optics of NiO. The material is modeled as a doubly embedded…

Quantum defect theory is applied to (time-dependent) density-functional calculations of Rydberg series for closed shell atoms: He, Be, and Ne. The performance and behavior of such calculations is much better quantified and understood in…

Manganites are technologically important materials, used widely as solid oxide fuel cell cathodes: they have also been shown to exhibit electroresistance. Oxygen bulk diffusion and surface exchange processes are critical for catalytic…

Motivated by experiment, we argue that the enigmatic hidden order in $URu_2Si_2$ demands a dual description that encompasses both its itinerant and its local aspects. A combination of symmetry considerations and observation allow us to rule…

Defects in cuprous oxide (Cu$_2$O) strongly influence its performance in applications ranging from photovoltaics to emerging quantum technologies based on Rydberg excitons where microscopic crystal purity is essential. Photoluminescence…

The motion of electrons and nuclei in photochemical events often involve conical intersections, degeneracies between electronic states. They serve as funnels for nuclear relaxation - on the femtosecond scale - in processes where the…

How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…