Related papers: A group theoretical approach to computing phonons …
Phononic properties are commonly studied by calculating force constants using the density functional theory (DFT) simulations. Although DFT simulations offer accurate estimations of phonon dispersion relations or thermal properties, but for…
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…
This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations…
Exploring the topological physics of phonons is fundamentally important for understanding various practical applications. Here, we present a density-functional perturbation theory and finite displacement supercell based Python 3 software…
We apply the compressive sensing lattice dynamics (CSLD) method to calculate phonon dispersion for crystalline solids. While existing methods such as frozen phonon, small displacement, and linear response are routinely applied for phonon…
We present a polynomial-time algorithm that discovers all maximal patterns in a point set, $D\subset\mathbb{R}^k$, that are related by transformations in a user-specified class, $F$, of bijections over $\mathbb{R}^k$. We also present a…
Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
Let $k$ be an algebraically closed field of characteristic $p>0$. Let $D$ be a $p$-divisible group over $k$. Let $n_D$ be the smallest non-negative integer for which the following statement holds: if $C$ is a $p$-divisible group over $k$ of…
The harmonic approximation of ionic fluctuations and the linear coupling between phonons and electrons provide the standard framework to compute, from first principles, the contribution of nuclear dynamics and its interaction with electrons…
Image processing problems in general, and in particular in the field of single-particle cryo-electron microscopy, often require considering images up to their rotations and translations. Such problems were tackled successfully when…
We present integrated subtraction terms and finite remainders for arbitrary processes with massless partons at hadron and lepton colliders in the context of the nested soft-collinear subtraction scheme. These results provide the very last…
The non-perturbative dynamics of quantum field theories is studied using theoretical tools inspired by string formalism. Two main lines are developed: the analysis of stringy instantons in a class of four-dimensional N=2 gauge theories and…
In the spirit of classic works of Wilson on the renormalization group and operator product expansion, a new framework for the study of the theory space of euclidean quantum field theories has been introduced. This formalism is particularly…
On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of…
The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for interacting phonons under constant pressure, bringing the effects of anharmonicity into temperature dependent observables. Nonetheless, the QHA is often…
A self-consistent quantum-kinetic model is developed for studying strong-field nonlinear electron transport interacting with force-driven phonons within a quantum-wire system. For this model, phonons can be dragged into motion through…
We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles.…
This paper is the third in a series devoted to the development of a rigorous renormalisation group method for lattice field theories involving boson fields, fermion fields, or both. In this paper, we motivate and present a general approach…
The coupling between electrons and phonons in solids plays a central role in describing many phenomena, including superconductivity and thermoelecric transport. Calculations of this coupling are exceedingly demanding as they necessitate…