Search results for "lattice [space-time]"

Ab initio simulations on the atomic and electronic structure of single-walled BN nanotubes and nanoarches

2009

To simulate the perfect single-walled boron nitride nanotubes and nanoarches with armchair- and zigzag-type chiralities and uniform diameter of � 5 nm, we have constructed their one-dimensional (1D) periodic models. In this study, we have compared the calculated properties of nanotubes with those for both hexagonal and cubic phases of bulk: bond lengths, binding energies per B–N bond, effective atomic charges as well as parameters of total and projected one-electron densities of states. For both phases of BN bulk, we have additionally verified their lattice constants. In the density functional theory (DFT), calculations performed using formalism of the localized Gaussian-type atomic functio…

Semiempirical Correlation between Optical Band Gap Values of Oxides and the Difference of Electronegativity of the Elements. Its Importance for a Qua…

1997

A semiempirical correlation between the optical band gap of binary oxides and the difference of electronegativity between the oxygen and metallic elements (Pauling's extraionic energy) is proposed. In the frame of the proposed correlation an estimate of the repulsive term in the total lattice energy of ionic oxides is obtained in very good agreement with the existing data. An extension of the correlation to the ternary oxides and hydroxides is proposed by using the concept of average cationic or anionic group electronegativity. The usefulness of the proposed correlation for the in situ characterization of passive films on metals and alloys by photocurrent spectroscopy is illustrated by repo…

Structural characterization of a-plane Zn1−xCdxO (0 < x <0.085) thin films grown by metal-organic vapor phase epitaxy.

2006

Zn1−xCdxO(11math0) films have been grown on (01math2) sapphire (r–plane) substrates by metal-organic vapor phase epitaxy. A 800-nm-thick ZnO buffer, deposited prior to the alloy growth, helps to prevent the formation of pure CdO. A maximum uniform Cd incorporation of 8.5 at. % has been determined by Rutherford backscattering spectrometry. Higher Cd contents lead to the coexistence of Zn1−xCdxO alloys of different compositions within the same film. The near band-edge photoluminescence emission shifts gradually to lower energies as Cd is incorporated and reaches 2.93 eV for the highest Cd concentration (8.5 at. %). The lattice deformation, due to Cd incorporation, has been described using a n…

Effects of nonlinearity and substrate’s deformability on modulation instability in NKG equation

2017

International audience; This article investigates combined effects of nonlinearities and substrate's deformability on modulational instability. For that, we consider a lattice model based on the nonlinear Klein-Gordon equation with an on-site potential of deformable shape. Such a consideration enables to broaden the description of energy-localization mechanisms in various physical systems. We consider the strong-coupling limit and employ semi-discrete approximation to show that nonlinear wave modulations can be described by an extended nonlinear Schrodinger equation containing a fourth-order dispersion component. The stability of modulation of carrier waves is scrutinized and the following …

2018

Abstract We show that a Wilson-type discretization of the Gross–Neveu model, a fermionic N -flavor quantum field theory displaying asymptotic freedom and chiral symmetry breaking, can serve as a playground to explore correlated symmetry-protected phases of matter using techniques borrowed from high-energy physics. A large- N study, both in the Hamiltonian and Euclidean formalisms, yields a phase diagram with trivial, topological, and symmetry-broken phases separated by critical lines that meet at a tri-critical point. We benchmark these predictions using tools from condensed matter and quantum information science, which show that the large- N method captures the essence of the phase diagram…

Discussion on triangle singularities in the Λb→J/ψK−p reaction

2016

We have analyzed the singularities of a triangle loop integral in detail and derived a formula for an easy evaluation of the triangle singularity on the physical boundary. It is applied to the ${\mathrm{\ensuremath{\Lambda}}}_{b}\ensuremath{\rightarrow}J/\ensuremath{\psi}{K}^{\ensuremath{-}}p$ process via ${\mathrm{\ensuremath{\Lambda}}}^{*}$-charmonium-proton intermediate states. Although the evaluation of absolute rates is not possible, we identify the ${\ensuremath{\chi}}_{c1}$ and the $\ensuremath{\psi}(2S)$ as the relatively most relevant states among all possible charmonia up to the $\ensuremath{\psi}(2S)$. The $\mathrm{\ensuremath{\Lambda}}(1890){\ensuremath{\chi}}_{c1}p$ loop is ver…

P -wave nucleon-pion scattering amplitude in the Δ(1232) channel from lattice QCD

2021

We determine the $\mathrm{\ensuremath{\Delta}}(1232)$ resonance parameters using lattice QCD and the L\"uscher method. The resonance occurs in elastic pion-nucleon scattering with ${J}^{P}=3/{2}^{+}$ in the isospin $I=3/2$, $P$-wave channel. Our calculation is performed with ${N}_{f}=2+1$ flavors of clover fermions on a lattice with $L\ensuremath{\approx}2.8\text{ }\text{ }\mathrm{fm}$. The pion and nucleon masses are ${m}_{\ensuremath{\pi}}=255.4(1.6)\text{ }\text{ }\mathrm{MeV}$ and ${m}_{N}=1073(5)\text{ }\text{ }\mathrm{MeV}$, respectively, and the strong decay channel $\mathrm{\ensuremath{\Delta}}\ensuremath{\rightarrow}\ensuremath{\pi}N$ is found to be above the threshold. To thorough…

Progress in three-particle scattering from LQCD

2017

We present the status of our formalism for extracting three-particle scattering observables from lattice QCD (LQCD). The method relies on relating the discrete finite-volume spectrum of a quantum field theory with its scattering amplitudes. As the finite-volume spectrum can be directly determined in LQCD, this provides a method for determining scattering observables, and associated resonance properties, from the underlying theory. In a pair of papers published over the last two years, two of us have extended this approach to apply to relativistic three-particle scattering states. In this talk we summarize recent progress in checking and further extending this result. We describe an extensio…

Correlation effects in the total energy, the bulk modulus, and the lattice constant of a transition metal: Combined local-density approximation and d…

2009

We present an accurate implementation of total-energy calculations into the local-density approximation plus dynamical mean-field theory $(\text{LDA}+\text{DMFT})$ method. The electronic structure problem is solved through the full-potential linear muffin-tin orbital and Korringa-Kohn-Rostoker methods with a perturbative solver for the effective impurity suitable for moderately correlated systems. We have tested the method in detail for the case of Ni, and investigated the sensitivity of the results to the computational scheme and to the complete self-consistency. It is demonstrated that the $\text{LDA}+\text{DMFT}$ method can resolve a long-standing controversy between the LDA/generalized …

Electromagnetic form factors and axial charge of the nucleon from Nf = 2 + 1 Wilson fermions

2018

We present an update on our determination of the electromagnetic form factors and axial charge of the nucleon from theNf= 2 + 1 CLS ensembles with increased statistics and an additional finer lattice spacing. We also investigate the impact ofO(a)-improvement of the currents.