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The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…

Materials Science · Physics 2025-06-17 Wooil Yang , Sabyasachi Tiwari , Feliciano Giustino , Young-Woo Son

We present a dynamical mean-field study of the nonperturbative electronic mechanisms, which may lead to significant enhancements of the electron-phonon coupling in correlated electron systems. Analyzing the effects of electronic…

Strongly Correlated Electrons · Physics 2026-03-31 Emin Moghadas , Matthias Reitner , Tim Wehling , Giorgio Sangiovanni , Sergio Ciuchi , Alessandro Toschi

We introduce a spin-orbit assisted electron-phonon (e-ph) coupling mechanism for carriers in semiconductor quantum wells and predict qualitatively the form and shape of anticrossings between the cyclotron resonance (CR) and optical (LO and…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 D. S. L. Abergel , Vladimir I. Fal'ko

Lattice vibrations in materials induce perturbations on the electron dynamics in the form of long-range (dipole and quadrupole) and short-range (octopole and higher) potentials. The dipole Fr\"ohlich term can be included in current…

Materials Science · Physics 2020-09-30 Jinsoo Park , Jin-Jian Zhou , Vatsal A. Jhalani , Cyrus E. Dreyer , Marco Bernardi

We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional perturbation theory together with very accurate Wannier…

A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…

Materials Science · Physics 2016-03-04 Bartomeu Monserrat

In solid state physics, the electron-phonon interaction (EPI) is central to many phenomena. The theory of the renormalization of electronic properties due to EPIs became well established with the theory of Allen-Heine-Cardona, usually…

Materials Science · Physics 2022-06-22 Jean Paul Nery , Francesco Mauri

The Allen-Heine-Cardona theory allows us to calculate phonon-induced electron self-energies from first principles without resorting to the adiabatic approximation. However, this theory has not been able to account for the change of the…

Materials Science · Physics 2024-10-17 Jae-Mo Lihm , Cheol-Hwan Park

Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the usual slow convergence of energetic properties with respect to the size…

We analyze theoretically the effects of electron-phonon interaction in the dynamics of an electron that can be trapped to a localized state and detrapped to an extended band state of a small quantum dot (QD) using a simple model system. In…

Mesoscale and Nanoscale Physics · Physics 2021-12-03 R. Carmina Monreal

We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…

Materials Science · Physics 2023-10-10 Brian Cunningham , Myrta Gruening , Dimitar Pashov , Mark van Schilfgaarde

The quantum dot spin chain system is vital for quantum simulation and studying collective electron behaviors, necessitating an understanding of its mechanisms and control protocols. Chapter 1 introduces key concepts, focusing on the…

Quantum Physics · Physics 2024-10-22 Guanjie He

The compound CuTe (vulcanite) undergoes a quasi one dimensional charge density wave (CDW) at $T< T_{\mathrm{CDW}}=335$ K with a $5\times1\times2$ periodicity. The mechanism at its origin is debated. Several theoretical works claimed that…

Materials Science · Physics 2023-08-02 Marco Campetella , Giovanni Marini , Jianqiang Sky Zhou , Matteo Calandra

In this letter we report measurements of the coupling between Dirac fermion quasiparticles (DFQs) and phonons on the (001) surface of the strong topological insulator Bi2Se3. While most contemporary investigations of this coupling have…

Materials Science · Physics 2012-05-07 Xuetao Zhu , Luiz Santos , Colin Howard , R. Sankar , Fangcheng Chou , Claudio Chamon , Michael El-Batanouny

This note presents a combination of published and preliminary electroweak results from the four LEP collaborations ALEPH, DELPHI, L3 and OPAL based on electron-positron collision data taken at centre-of-mass energies above the Z-pole, $130…

We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Jingzhe Chen , Kristian S. Thygesen , Karsten W. Jacobsen

We examine multiple techniques for extracting information from angle-resolved photoemission spectroscopy (ARPES) data, and test them against simulated spectral functions for electron-phonon coupling. We find that, in the low-coupling…

Strongly Correlated Electrons · Physics 2015-05-18 C. N. Veenstra , G. L. Goodvin , M. Berciu , A. Damascelli

This note presents a combination of published and preliminary electroweak results from the four LEP collaborations ALEPH, DELPHI, L3 and OPAL based on electron-positron collision data taken at centre-of-mass energies above the Z-pole, $130…

Recently we proposed an information entropy based method for electronic structure calculations within the density-matrix functional theory(DMFT) (Phys. Rev. Lett. 128, 013001), dubbed as $i$-DMFT. Comments have been raised regarding the…

Quantum Physics · Physics 2022-07-07 Jian Wang , Evert Jan Baerends

In principle, many-electron correlation energy can be precisely computed from a reduced Wigner distribution function ($\mathcal{W}$) thanks to a universal functional transformation ($\mathcal{F}$), whose formal existence is akin to that of…

Chemical Physics · Physics 2019-01-23 Rutvij Vihang Bhavsar , Raghunathan Ramakrishnan