Related papers: Phonon localization in binary alloys with diagonal…
Based on the statistical dynamical mean field theory, we investigate, in a generic model for a strongly coupled disordered electron-phonon system, the competition between polaron formation and Anderson localization. The statistical…
In the first part of the present paper (theoretical), the activation of out-of-equilibrium collective oscillations of a macromolecule is described as a classical phonon condensation phenomenon. If a macromolecule is modeled as an open…
Diffuse phonon scattering strongly affects the phonon transport through a disordered interface. The often-used diffuse mismatch model assumes that phonons lose memory of their origin after being scattered by the interface. Using…
We analyze the ground states and the elementary collective excitations (phonons) of a class of systems, which form cluster crystals in the absence of attractions. Whereas the regime of moderate-to-high-temperatures in the phase diagram has…
The phonon spectral function of the one-dimensional Holstein model is obtained within weak and strong-coupling approximations based on analytical self-energy calculations. The characteristic excitations found in the limit of small…
A novel homogenization methodology is proposed for analyzing the failure of fiber-reinforced composite materials, utilizing elastic and eigen influence tensors within a damage informed transformation field analysis (D-TFA) framework. This…
The theoretical formalism of the local density approximation (LDA) to density functional theory (DFT) has been used to study the electronic and geometric structures of SimCn (1<=m, n<=4;n<=m) clusters. An all electron 6-311++G** basis set…
We investigate in the framework of linear response theory the complete phonon dispersion, phonon induced electronic charge response, electron-phonon interaction and dielectric and infrared properties of the high-temperature superconductors…
Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…
By merging single-site typical medium theory with density functional theory we introduce a self-consistent framework for electronic structure calculations of materials with substitutional disorder which takes into account Anderson…
The formation of charge-density-wave order in Dirac fermion systems via electron-phonon coupling represents a significant topic in condensed matter physics. In this work, we investigate this phenomenon within the Holstein model on the…
The objective of this article is to investigate the profound nonlinear optical response exhibited by inversion symmetric fullerene molecules under the influence of different types of disorders described by the Anderson model. Our aim is to…
The rapid advances in the study of fractional Chern insulators (FCIs) raise a fundamental question: while initially discovered in flat Chern bands motivated by their topological equivalence to Landau levels, is single- particle band…
The design and fabrication of phononic crystals (PnCs) hold the key to control the propagation of heat and sound at the nanoscale. However, there is a lack of experimental studies addressing the impact of order/disorder on the phononic…
Cluster analysis which focuses on the grouping and categorization of similar elements is widely used in various fields of research. Inspired by the phenomenon of atomic fission, a novel density-based clustering algorithm is proposed in this…
Mitigating low-frequency vibration or noise is of vital importance to both human health and mechanical engineering. Two-dimensional phononic crystal (PC) structures were proposed by attaching rubber and metallic cylinders on one or both…
Disorder can fundamentally modify the transport properties of a system. A striking example is Anderson localization, suppressing transport due to destructive interference of propagation paths. In inhomogeneous many-body systems, not all…
Medium and high entropy ceramics, with their distinctive disordered structures, exhibit ultra-low thermal conductivity and high temperature stability. These properties make them strong contenders for next generation thermal barrier coating…
In polar semiconductors and insulators, the Fr\"ohlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearence of characteristic…
We develop a first-principles scheme to calculate adiabatic and non-adiabatic phonon frequencies in the full Brillouin zone. The method relies on the variational properties of a force-constants functional with respect to the first-order…