Electron-phonon wannier
WebJan 18, 2024 · Introduction. PERTURBO is an open source software to compute from first principles the scattering processes between charge carriers (electrons and holes) and phonons, defects, and photons in solid state materials, including metals, semiconductors, oxides, and insulators. PERTURBO computes electron-phonon (e-ph) interactions and … WebPhoebe is an open-source code for the ab-initio computation of electron and phonon transport properties of crystalline materials. It is designed to take advantage of HPC systems via MPI-OpenMP hybrid parallelism, memory-distributed computing via ScaLAPACK, and GPU accelerated calculation of scattering rates. 1 / 6. .
Electron-phonon wannier
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WebJul 17, 2014 · Electron-phonon couplings and charge transport properties of α- and γ-graphyne nanosheets were investigated from first-principles calculations by using the density-functional perturbation theory and the … WebSep 1, 2024 · Request PDF Electron–phonon calculations using a Wannier-based supercell approach: Applications to the monolayer MoS 2 mobility We present a first …
WebApr 12, 2016 · DOI: 10.1016/j.cpc.2016.07.028 Corpus ID: 21973993; EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions @article{Ponc2016EPWEC, title={EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions}, … http://hzwtech.com/Device%20Studio/DS-PAW/build/html/output-hdf5.html
WebElectron-phonon coupling in bcc lithium is studied using a first-principles pseudopotential approach and Wannier-interpolation-based techniques … WebOct 10, 2012 · The squares denote the crystal lattice, the bottom lines denote the electron Wannier functions 0 e and R e , and the top line denotes the phonon perturbation in the lattice Wannier representation, ∂ R p μ V (r). Whenever two of these functions are centered on distant unit cells, the vertex becomes vanishingly small.
WebApr 12, 2016 · The EPW (Electron-Phonon coupling using Wannier functions) software is a Fortran90 code that uses density-functional perturbation theory and maximally localized Wannier functions for computing electron-phonon couplings and related properties in solids accurately and efficiently. The EPW v4 program can be used to compute electron …
WebOct 2, 2015 · I calculated the Phonon frequencies at Gamma point to study the stability of my system by using Quntum Espresso . I got 3 negative (imaginary) acoustic mode having values (-0.0608 , -0.0437 , -0. ... dream about being cheated onWebApr 8, 2024 · In the range of 40–120 K, the increase in FWHM is as expected for electron-phonon coupling, in the order of k B T (red line overlaid) 39, where k B is the Boltzmann constant. engaging science and technologyWebAug 31, 2015 · A new computational method is introduced that allows interpolation of the electron-phonon matrix elements in the space of localized Wannier functions, … dream about being forced to do somethingWebEPW: electron-phonon calculations using Wannier functions; The following auxiliary codes are included as well: PWgui: a Graphical User Interface, producing input data files for PWscf; atomic: a program for atomic calculations and generation of pseudopotentials dream about being eaten by a whalehttp://hzwtech.com/Device%20Studio/DS-PAW/build/html/input-update.html engaging reading activitiesWebAug 4, 2024 · Using structure prediction software based on particle swarm optimization algorithm, we have discovered a new atmospheric superconductor BeB2C, and the … dream about being eaten by alligatorsWebOct 4, 2007 · We introduce a technique based on the spatial localization of electron and phonon Wannier functions to perform first-principles calculations of the electron … engaging research topics