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We consider an electron-acoustic phonon coupling mechanism associated with the dependence of crystal dielectric permittivity on the strain (the so-called Pekar mechanism) in nanostructures characterized by strong confining electric fields.…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 B. A. Glavin , V. A. Kochelap , T. L. Linnik , K. W. Kim

In materials with strong electron-phonon (e-ph) interactions, charge carriers can distort the surrounding lattice and become trapped, forming self-localized (small) polarons. We recently developed an ab initio approach based on canonical…

Materials Science · Physics 2022-05-04 Yao Luo , Benjamin K. Chang , Marco Bernardi

We present a joint implementation of dynamical-mean-field theory (DMFT) with the pseudopotential plane-wave approach, via Wannier functions, for the determination of the electronic properties of strongly correlated materials. The scheme…

Strongly Correlated Electrons · Physics 2018-08-08 G. Trimarchi , I. Leonov , N. Binggeli , Dm. Korotin , V. I. Anisimov

Electronic structure calculations are mostly carried out with Coulomb potential singularity adapted basis sets like STO or contracted GTO. With other basis or for heavy elements the pseudopotentials may appear as a practical alternative.…

Chemical Physics · Physics 2022-11-14 Tommi Höynälänmaa , Tapio Rantala

We formulate Wannier orbital overlap population and Wannier orbital Hamilton population to describe the contribution of different orbitals to electron distribution and their interactions. These methods, which are analogous to the well known…

Computational Physics · Physics 2021-03-31 Sudipta Kundu , Satadeep Bhattacharjee , Seung-Cheol Lee , Manish Jain

We introduce a Wannier-type formulation of periodic local vibrational mode theory that yields real-space-localized vibrational modes associated with individual internal coordinates in crystalline solids. These modes are constructed as…

Materials Science · Physics 2026-05-12 Mateusz Mojsak , Elfi Kraka , Adam A. L. Michalchuk

Maximally localized Wannier functions are widely used in electronic structure theory for analyses of bonding, electric polarization, orbital magnetization, and for interpolation. The state of the art method for their construction is based…

Materials Science · Physics 2015-12-02 Jamal I. Mustafa , Sinisa Coh , Marvin L. Cohen , Steven G. Louie

An electromagnetic wave (EMW) interacting with the moving singularity of the charged particle flux undergoes the reflection and absorption as well as frequency change due to Doppler effect and nonlinearity. The singularity corresponding to…

Plasma Physics · Physics 2008-07-08 A. V. Panchenko , T. Zh. Esirkepov , A. S. Pirozhkov , M. Kando , F. F. Kamenets , S. V. Bulanov

Electroencephalography (EEG) provides a way to understand, and evaluate neurotransmission. In this context, time-locked EEG activity or event-related potentials (ERPs) are often used to capture neural activity related to specific mental…

Signal Processing · Electrical Eng. & Systems 2024-11-21 Mario Molina , Lorenzo J. Tardon , Ana M. Barbancho , Irene De-Torres , Isabel Barbancho

The electron-phonon (e-ph) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge-density-waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph…

Strongly Correlated Electrons · Physics 2021-07-12 B. Nosarzewski , E. W. Huang , Philip M. Dee , I. Esterlis , B. Moritz , S. A. Kivelson , S. Johnston , T. P. Devereaux

We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic…

Strongly Correlated Electrons · Physics 2017-02-27 C. Brockt , E. Jeckelmann

We present a high energy-resolution inelastic x-ray scattering investigation of the soft phonon mode in the charge-density-wave system TbTe$_3$. We analyze our data based on lattice dynamical calculations using…

Strongly Correlated Electrons · Physics 2015-07-01 M. Maschek , S. Rosenkranz , R. Heid , A. H. Said , P. Giraldo-Gallo , I. R. Fisher , F. Weber

The electron-phonon(e-p) interaction in Pentacene (Pn) films grown on Bi(001) was investigated using photoemission spectroscopy. The spectra reveal thermal broadening from which we determine an e-p mass enhancement factor of lambda = 0.36…

Materials Science · Physics 2010-01-28 Richard C. Hatch , David L. Huber , Hartmut Höchst

Electromagnetic splittings for mesons and baryons are calculated in a formalism where the constituent quarks are considered as dressed quasiparticles. The electromagnetic interaction, which contains coulomb, contact, and hyperfine terms, is…

High Energy Physics - Phenomenology · Physics 2008-11-26 B. Silvestre-Brac , F. Brau , C. Semay

Maximally-localized Wannier functions (MLWFs) are a powerful and broadly used tool to characterize the electronic structure of materials, from chemical bonding to dielectric response to topological properties. Most generally, one can…

Computational Physics · Physics 2023-11-07 Junfeng Qiao , Giovanni Pizzi , Nicola Marzari

Electron-phonon ($e$-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons and metal-insulator transitions. First-principles approaches enable accurate…

Free electrons are unique tools to probe and manipulate nanoscale optical fields with emerging applications in ultrafast spectromicroscopy and quantum metrology. However, advances in this field are hindered by the small probability…

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 techniques use large matrices encoding the…

Materials Science · Physics 2025-03-11 Yao Luo , Dhruv Desai , Benjamin K. Chang , Jinsoo Park , Marco Bernardi

Using the weak-localization method, we have measured the electron-phonon scattering times $\tau_{ep}$ in Pd$_{60}$Ag$_{40}$ thick films prepared by DC- and RF-sputtering deposition techniques. In both series of samples, we find an anomalous…

Disordered Systems and Neural Networks · Physics 2009-05-05 Y. L. Zhong , J. J. Lin , L. Y. Kao

In high-energy leptonic collisions well above the electroweak scale, the collinear splitting mechanism of the electroweak gauge bosons becomes the dominant phenomena via the initial state radiation and the final state showering. We point…

High Energy Physics - Phenomenology · Physics 2025-01-07 Tao Han , Yang Ma , Keping Xie