相关论文: Electronic stress tensor analysis of molecules in …
The molecular structures of the monomeric, pentacoordinated ethylchloroniobium(V) compounds Me3NbCl2 and Me2NbCl3 have been determined by gas electron diffraction (GED)and Density Functional Theory (DFT) calculations, and, for Me3NbCl2, by…
Phase change materials are exploited in non-volatile electronic memories and photonic devices that rely on a fast and reversible transformation between the amorphous and crystalline phase upon heating. The recrystallization of the amorphous…
Dramatically sharp resonances manifesting stable negative-ion formation characterize Regge pole-calculated low-energy electron elastic total cross sections (TCSs) of heavy multi-electron systems. The novelty of the Regge pole analysis is in…
Considering the growing interest of the astrophysicist community in the study of dissipative fluids with the aim of getting a more realistic description of the universe, we present in this paper a physical analysis of the energy-momentum…
We report the electronic characterization of mesoscopic Hall bar devices fabricated from coupled InAs/GaSb quantum wells sandwiched between AlSb barriers, an emerging candidate for two-dimensional topological insulators. The electronic…
Twisted electron-impact single ionization ((e,2e) process) of water molecule is theoretically studied in the presence of an external laser field. Calculations have been performed in the framework of the first Born approximation in coplanar…
The topological properties of Bloch bands are intimately tied to the structure of their electronic wavefunctions within the unit cell of a crystal. Here, we show that scanning tunneling microscopy (STM) measurements on the prototypical…
We present an approach to electronic polarization in molecular solids treated as a set of quantum systems interacting classically. Individual molecules are dealt with rigorously as quantum-mechanical systems subject to classical external…
In this article we employ density functional theory in the generalized gradient approximation to investigate the structural and electronic properties of the solid solution alloy $\text{Zn}\text{Se}_x\text{S}_{1-x}$ in the wurtzite…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
Effects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy (TaNb)$_{0.67}$(HfZrTi)$_{0.33}$ are studied in the pressure range 0 - 100 GPa. The electronic structure is…
We study the crossover between liquid and solid electron phases in a two-dimensional harmonic trap as the density is progressively diluted. We infer the formation of geometrically ordered phases from charge distributions and pair…
This article presents an investigation of a transient (30 {\mu}s - 5 ms) electrical discharge in metal vapour with low voltage (< 50 V) and current (< 1 A), drawn between two separating electrodes. Discharges of this type are rarely…
We report on the emergence of an Electronic Griffiths Phase (EGP) in the doped semiconductor FeSb$_{2}$, predicted for disordered insulators with random localized moments in the vicinity of a metal-insulator transition (MIT). Magnetic,…
Electron vortex beams (EVB, also known as twisted electron beams) possess an intrinsic orbital angular momentum (OAM) with respect to their propagation direction. This intrinsic OAM represents a new degree of freedom that provides new…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
The simultaneous condensation of electronic and structural degrees of freedom gives rise to new states of matter, including superconductivity and charge-density-wave formation. When exciting such a condensed system, it is commonly assumed…
Transition metals with their densely confined and strongly coupled valence electrons are key constituents of many materials with unconventional properties, such as high-Tc superconductors, Mott insulators and transition-metal…
Phase change materials (PCMs) are well-known for their reversible and rapid switching between crystalline and amorphous phases through thermal excitations mediated by strong electrical or laser pulses. This crystal-to-amorphous transition…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…