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Data-Driven Compression Of Electron-Phonon Interactions

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Data-Driven Compression of Electron-Phonon Interactions Phys. Rev. X 14, 021023 (2024). D. Desai*, J. Park*, J.-J. Zhou, and M. Bernardi (*Equal Contributors) Dominant Two-Dimensional First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon ( e − ph ) interactions being a prime example.

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these

Electron—Phonon Interactions

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. Thus, this work highlights the potential of Raman spectroscopy as a powerful tool for probing structural transformations and provides a new understanding of the role of First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e−ph) interactions being a prime example. However, these

We present a computational protocol, based on density matrix perturbation theory, to obtain non-adiabatic, frequency-dependent electron–phonon self-energies for molecules and solids. Our

Electron-phonon (e-ph) interactions have become a pillar of first-principles electronic structure calculations. In this talk, I will introduce relevant theory and computational workflows, and then

Ballistic transport of dislocations and the resulting phonon drag are known to occur in crystalline metals under high strain rates, causing embrittlement. Here, we leverage 近年来，材料中电子相互作用的第一原理计算取得了快速进展，电子-声子 (e-ph) 相互作用就是一个典型的例子。然而，这些技术使用大型矩阵来编码密集动量网格上的相互作用，这降低了计 First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these

26 electron-phonon interaction on the thermal conductivity of electron- and hole-doped SiC. 27 Both theory12 and experiments13 reveal that the impact of electron-phonon First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these

‪Caltech‬ – ‪‪引用次数：75 次‬‬ – ‪condensed matter theory‬ – ‪many-body physics‬ – ‪first-principles calculations‬ ‪Caltech‬ – ‪‪Cited by 75‬‬ – ‪condensed matter theory‬ – ‪many-body physics‬ – ‪first-principles calculations‬

At this point we are seriously worried that we don’t understand how acoustic phonons ever ex-ist in charged systems. If one now includes the electron- phonon coupling, however, the electronic

Here, the authors achieve flexible and reversible phonon transport manipulation in a two-dimensional heterojunction via electron-phonon interactions. Engineering the band structure via moiré superlattices plays a crucial role in tailoring the electronic and phononic spectra of hBN/graphene heterostructures, enabling a

title = {Data-Driven Compression of Electron-Phonon Interactions}, author = {Luo, Yao and Desai, Dhruv and Chang, Benjamin K. and Park, Jinsoo and Bernardi, Marco},

First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these Two-dimensional (2D) hybrid organic–inorganic metal halide perovskites offer enhanced stability for perovskite-based applications. Their crystal structure’s soft and ionic

Electron-phonon interactions So far, we considered the motion of electrons in the static periodic potential that would arise if the ions were frozen in their equilibrium positions. Then we looked

Abstract First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon ( e−ph e − ph ) interactions being a prime Recent work has employed singular value decomposition to compress electron-phonon (e ? e italic_e -ph) interactions and greatly speed up first-principles e ? e italic_e -ph calculations [27]. Electron–phonon coupling (EPC) is a fundamental interaction that underlies the physics of condensed matter. However, EPC has been a largely theoretical concept owing to

„The electron–phonon interactions computed with the compressed matrices are nearly as accurate as the full calculation. This reduces the computing time and memory usage Electron-phonon (? − p h) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons,

To date, the absence of experimental approaches capable of directly probing the relative strength of wave vector (or momentum)–dependent carrier-lattice interactions (3, 4) and the interplay Data-Driven Compression of Electron-Phonon Interactions Yao Luo, Dhruv Desai, Benjamin K. Chang, Jinsoo Park, and Marco Bernardi Phys. Rev. X 14, 021023 (2024) – The paper is titled „Data-driven compression of electron-phonon interactions.“ Along with Luo and Bernardi, co-authors on the paper include graduate student Dhruv Desai

Here, we develop a data-driven low-fi rank approximation for the electron-hole kernel, leveraging localized excitonic effects in the Hilbert space of crystalline systems to achieve signicant data

Lead-free halide double perovskites have been proposed as candidates to replace Pb-halide perovskites in photovoltaic and optoelectronic applications due to their enhanced stability and Combining spin-resolved ultrafast spectroscopy and calculations, Zhou et al. report weak exciton-phonon interactions in 2D tin iodide perovskites, alleviating excited state

The coupling between electrons and phonons is one of the fundamental interactions in solids, underpinning a wide range of phenomena, such as resistivity, heat The coupling between electrons and phonons is ubiquitous in condensed matter physics. In recent years, with the rise of two dimensional (2D) materials, electron–phonon

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 Our work enables the precise modeling of electron–phonon interactions and polarons in coupling regimes ranging from weak to strong.