相关论文: Isotope effects on the lattice parameter of cubic …
Molecular dynamics simulations of 3C-SiC have been performed as a function of pressure and temperature. These simulations treat both electrons and atomic nuclei by quantum mechanical methods. While the electronic structure of the solid is…
Silicon carbide, a semiconducting material, has gained importance in the fields of ceramics, electronics, and renewable energy due to its remarkable hardness and resistance. In this study, we delve into the impact of nuclear quantum motion,…
Two-dimensional (2D) silicon carbide is an emergent direct band-gap semiconductor, recently synthesized, with potential applications in electronic devices and optoelectronics. Here, we study nuclear quantum effects in this 2D material by…
We proposed a new way, adding intertube atoms, to enhance interfacial thermal conductance (ITC) between SiC-carbon nanotube (CNT) array structure. Non-equilibrium molecular dynamics method was used to study the ITC. The results show that…
The intermolecular lattice vibrations in small-molecule organic semiconductors have a strong impact on their functional properties. Existing models treat the lattice vibrations within the harmonic approximation. In this work, we use…
This paper explores the interplay between quantum nuclear motion and anharmonicity, which causes nontrivial effects on the structural and dynamical characteristics of silicene, a two-dimensional (2D) allotrope of silicon with interesting…
We study a three dimensional Z(3)-symmetric effective theory of high temperature QCD. The exact lattice-continuum relations, needed in order to perform lattice simulations with physical parameters, are computed to order O(a^0) in lattice…
We present, both exactly and approximately, a complete set of mappings between the vacuum (or fundamental) leptonic mixing parameters and the effective ones in matter with non-standard neutrino interaction (NSI) effects included. Within the…
The isotope effects in Si$^-$ bound levels are studied using the multi-configuration Hartree-Fock ab initio approach. Large scale calculations are carried out for the $3p^3\ ^4S^o,\, ^2D^o$ and $^2P^o$ multiplets of Si$^-$ and the $3p^2\…
It has been argued that the leading scalar-isoscalar WIMP-nucleus interactions receive parametrically enhanced contributions in the context of nuclear effective field theories. These contributions arise from meson-exchange currents (MECs)…
The temperature and pressure dependence of the thermal displacements and lattice parameters were obtained across the $\gamma \to \alpha$ phase transition of Ce using high-pressure, high-resolution neutron and synchrotron x-ray powder…
We study both experimentally and theoretically the losses induced by parametric excitation in far-off-resonance optical lattices. The atoms confined in a 1D sinusoidal lattice present an excitation spectrum and dynamics substantially…
We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the $C2/c$, $Pc$, and $P6_3/m$ structures at pressures of 250, 300, and 350…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
We study a three dimensional Z(3)-symmetric effective theory of high temperature QCD. The exact lattice-continuum relations, needed in order to perform lattice simulations with physical parameters, are computed to order O(a^0) in lattice…
We present a new method to evaluate with high precision isospin breaking effects due to the small mass difference between the up and down quarks using lattice QCD. Our proposal is applicable in principle to any hadronic observable which can…
The oscillator parameter in nuclei is refitted to reproduce the available charge radius data. As an important improvement, we include the Coulomb term evaluated within the assumption of a uniformly charged sphere, and take into account the…
In recent years, the availability of highly pure stable isotopes has made possible the investigation of the dependence of the physical properties of crystals, in particular semiconductors, on their isotopic composition. Following the…
SiC polytypes have been studied for decades, both experimentally and with atomistic simulations, yet no consensus has been reached on the factors that determine their stability and growth. Proposed governing factors are…
We have used small-angle neutron scattering to determine the vortex lattice phase diagram in the topological superconductor UPt3 for the applied magnetic field along the crystalline c-axis. A triangular vortex lattice is observed throughout…