Related papers: Universal correlation between electronic factors a…
We introduce a theory that exposes the fundamental and previously overlooked connection between the correlation among electrons and the degree of quantum coherence of electronic states in matter. For arbitrary states, the effects only…
We demonstrate, by a simple analysis, that cosmological line elements related by scale factor duality also exhibit a duality with respect to the conservation/violation of the Weak Energy Condition (WEC) by the matter that acts as the source…
Although electronic density of states (DOS) is fundamental to materials properties, its general relationship to mechanical properties of alloys is not well established. In this paper, using density functional theory (DFT) calculations, we…
We present an \emph{ab initio} study of the effect of macroscopic deformation on energetics of twelve alloying elements in bcc Fe under three specially designed strain modes. We find that there exists a universal linear relation of…
It can be argued that electron correlation, as a concept, deserves the same prominence in general chemistry as molecular orbital theory. We show how it acts as Nature's "chemical glue" at both the molecular and supramolecular levels.…
The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized…
We address the role of electronic correlations in different kinds of band insulators by using the two-orbital Hubbard model within the dynamical mean-field theory (DMFT). An intriguing finding is that electronic correlations turn a metal…
Body-centered cubic (bcc) refractory multicomponent alloys are of great interest due to their remarkable strength at high temperatures. Meanwhile, further optimizing the chemical compositions of these alloys to achieve a combination of high…
Plasticity in body centered cubic (bcc) refractory metals are largely due to the stress tensor induced either by solute or thermal activation. The mechanism of the solute atom(s) residence causes instability in such metals. Earlier research…
Electronic correlation is believed to play an important role in exotic phenomena such as insulator-metal transition, colossal magneto resistance and high temperature superconductivity in correlated electron systems. Recently, it has been…
We discuss the elastic ed scattering beyond Born approximation. It is shown that the reaction amplitude contains six generalized form factors, but only three linearly independent combinations of them (we call them generalized charge,…
The concept of electronic correlations plays an important role in modern condensed matter physics. It refers to interaction effects which cannot be explained within a static mean-field picture as provided by Hartree-Fock theory. Electronic…
The role of electronic correlations in Condensed Matter is at the heart of various important systems, like magnetic materials, superconductors, topological materials, optical lattices, etc. Electronic correlations are those which change the…
It is shown that the amplitude of elastic ed scattering beyond Born approximation contains six generalized form factors, but only three linearly independent combinations of them (generalized charge, quadrupole and magnetic form factors)…
The recent development of electric and electronic devices has been remarkable. The miniaturization of electronic devices and high integration are progressing by advances in mounting technology. As a result, the reliability of fatigue life…
A first principles analysis of order-disorder transition in alloys shows that ordering energy is a function of temperature due to thermal vibrations. The inter-nuclear potential energy term converges if zero point vibrations are…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
Magnetic moments of bound-electron systems are a sensitive tool for testing fundamental interactions. $g$ factors of lithium-like ions have been rigorously studied in recent years, enabling insights into the relativistic inter-electronic…
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using an ab initio local density approximation + dynamical…
In this work, the molecular enhancement factors of the $\mathcal{P,T}$-odd interactions involving the electron electric dipole moment ($W_\mathrm{d}$) and the scalar-pseudoscalar nucleon-electron couplings ($W_\mathrm{s}$) are computed for…