Related papers: Ab-initio calculation of phonon dispersion curves:…
We theoretically investigate dispersion of plasma waves propagating in a lateral plasmonic crystal based on a two-dimensional electron system with grating gates. Two specific configurations are analyzed: a system with single grating gate…
We present the interatomic force constants and phonon dispersions of graphite and graphene from the LCBOPII empirical bond order potential. We find a good agreement with experimental results, particularly in comparison to other bond order…
We present a novel methodology to compute relaxed dislocations core configurations, and their energies in crystalline metallic materials using large-scale \emph{ab-intio} simulations. The approach is based on MacroDFT, a coarse-grained…
A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…
We calculate the mass spectrum and the structure of the positronium system at a strong coupling in a basis light-front approach. We start from the light-front QED Hamiltonian and retain one dynamical photon in our basis. We perform the…
Recent developments in the QCD description of the pion structure are reviewed. The CLEO pion-photon transition data analysis favors a distribution amplitude for the pion that is double-humped but endpoint-suppressed. After a short outline…
It has been suggested that for QCD at finite baryon density the distribution of the phase angle, i.e. the angle defined as the imaginary part of the logarithm of the fermion determinant, has a simple Gaussian form. This distribution…
We analyze the Fubini-Furlan-Rosetti sum rule in the framework of covariant baryon chiral perturbation theory to leading one-loop accuracy and including next-to-leading order polynomial contributions. We discuss the relation between the…
We report on a special type of solutions for the gluon propagator of pure QCD, obtained from the corresponding non-linear Schwinger-Dyson equation formulated in the Feynman gauge of the background field method. These solutions reach a…
Recent first principles calculations of the phonon dispersion curves in MgB_2 have suggested the presence of anomalies in some of the curves, particularly in the longitudinal acoustical (LA) branch in the Gamma to A direction. Similar…
We report on the ALPHA Collaboration's lattice B-physics programme based on N_f=2 O(a) improved Wilson fermions and HQET, including all NLO effects in the inverse heavy quark mass, as well as non-perturbative renormalization and matching,…
We compute perturbative QCD corrections to $B \to D$ form factors at leading power in $\Lambda/m_b$, at large hadronic recoil, from the light-cone sum rules (LCSR) with $B$-meson distribution amplitudes in HQET. QCD factorization for the…
The sum rule approach is used to derive upper bounds for the dispersion law $\omega_0(q)$ of the elementary excitations of a Bose superfluid. Bounds are explicitly calculated for the phonon-roton dispersion in superfluid $^4$He, both at…
To reach the next frontier in multimode nonlinear optics, it is crucial to better understand the classical and quantum phenomena of systems with many interacting degrees of freedom -- both how they emerge and how they can be tailored to…
Many-body perturbation theory methods, such as the $G_0W_0$ approximation, are able to accurately predict quasiparticle (QP) properties of several classes of materials. However, the calculation of the QP band structure of two-dimensional…
We determine the anisotropic dielectric functions of rhombohedral $\alpha$-Ga$_2$O$_3$ by far-infrared and infrared generalized spectroscopic ellipsometry and derive all transverse optical and longitudinal optical phonon mode frequencies…
We formulate the blended force-based quasicontinuum (BQCF) method for multilattices and develop rigorous error estimates in terms of the approximation parameters: atomistic region, blending region and continuum finite element mesh.…
The lattice dynamics in substitutional disordered alloys with constituents having large size differences is driven by strong disorder in masses, inter-atomic force constants and local environments. In this letter, a new first-principles…
We present an efficient method for calculating strength functions using the finite amplitude method (FAM) for deformed superfluid heavy nuclei within the framework of the nuclear density functional theory. We demonstrate that FAM reproduces…
For over a century, x-ray scattering has been the most powerful tool for determining the equilibrium structure of crystalline materials. Deviations from perfect periodicity, for example due to thermal motion of the atoms, reduces the…