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We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…

Materials Science · Physics 2025-09-24 Jonathan H. Fetherolf , Petra Shih , Timothy C. Berkelbach

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2014-10-20 Giuseppe Romano , Jeffrey C. Grossman

We study coherent transport through a double quantum dot. Its two electronic leads induce electronic matter and energy transport and a phonon reservoir contributes further energy exchanges. By treating the system-lead couplings…

Statistical Mechanics · Physics 2015-04-07 Thilo Krause , Tobias Brandes , Massimiliano Esposito , Gernot Schaller

We investigate the semiclassical electronic transport properties of the bilayer silicene-like system in the presence of charged impurity. The trigonal warping due to the interlayer hopping, and its effect to the band structure of bilayer…

Mesoscale and Nanoscale Physics · Physics 2018-09-18 Chen-Huan Wu

We present a new method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$) in materials, informed by ${ab\,initio}$ material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux…

Materials Science · Physics 2019-08-22 Jackson R. Harter , Aria Hosseini , Todd. S. Palmer , P. Alex Greaney

We present a unified and nonperturbative method for calculating spectral and transport properties of Hamiltonians with simultaneous Holstein (diagonal) and Peierls (off-diagonal) electron-phonon coupling. Our approach is motivated by the…

Materials Science · Physics 2020-07-01 Jonathan H. Fetherolf , Denis Golez , Timothy C. Berkelbach

Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with…

Materials Science · Physics 2026-05-11 Laurenz Kremeyer , Bradley J. Siwick , Samuel Huberman

An variational expression for the zero temperature polaron impedance is obtained by minimizing the free energy in a generalized quadratic Feynman model. The impedance function of the quadratic model serves as the variational parameter. It…

Quantum Gases · Physics 2016-05-19 Dries Sels

We study the finite-temperature transport of electrons coupled to anharmonic local phonons. Our focus is on the high-temperature incoherent regime, where controlled calculations are possible both for weak and strong electron--phonon…

Strongly Correlated Electrons · Physics 2021-10-22 Attila Szabó , S. A. Parameswaran , Sarang Gopalakrishnan

An impurity immersed in a Bose-Einstein condensate is no longer accurately described by the Fr\"ohlich Hamiltonian as the coupling between the impurity and the boson bath gets stronger. We study the dominant effects of the two-phonon terms…

Quantum Gases · Physics 2019-10-28 Timour Ichmoukhamedov , Jacques Tempere

The system of a charged impurity in an interacting Bose gas has gained significant attention due to the long-range ion-atom interactions and the study of transport properties. Here, the ground state energy of a charged Bose polaron is…

Quantum Gases · Physics 2024-07-09 Laurent H. A. Simons , Michiel Wouters , Jacques Tempere

Phonon Boltzmann transport equation (BTE) is a key tool for modeling multiscale phonon transport, which is critical to the thermal management of miniaturized integrated circuits, but assumptions about the system temperatures (i.e., small…

Computational Physics · Physics 2022-01-14 Ruiyang Li , Jian-Xun Wang , Eungkyu Lee , Tengfei Luo

New variational ansatz for the large-radius Fr\"ohlich polaron is considered. The corresponding operator estimation for the energy of polaron proves to be very similar to the result found by Feynman on the basis of the variational principle…

Strongly Correlated Electrons · Physics 2007-05-23 I. D. Feranchuk , L. I. Komarov

Recently, three-component new fermions in topological semimetal MoP are experimentally observed, which may have potential applications like topological qubits, low-power electronics and spintronics. These are closely related to thermal…

Materials Science · Physics 2017-07-04 San-Dong Guo

The celebrated variational path integral approach to the polaron problem shows remarkable discrepancies with diagrammatic Monte Carlo for the Bogoliubov-Fr\"{o}hlich Hamiltonian which describes an impurity weakly coupled to a Bose condensed…

Quantum Gases · Physics 2022-04-13 Timour Ichmoukhamedov , Jacques Tempere

Boltzmann transport equation (BTE) is an ideal tool to describe the multiscale phonon transport phenomena, which are critical to applications like microelectronics cooling. Numerically solving phonon BTE is extremely computationally…

Computational Physics · Physics 2021-03-18 Ruiyang Li , Eungkyu Lee , Tengfei Luo

Electronic transport in a model molecular device coupled to local phonon modes is theoretically analyzed. The method allows for obtaining an accurate approximation of the system's quantum state irrespective of the electron and phonon energy…

Mesoscale and Nanoscale Physics · Physics 2007-10-10 Antonino La Magna , Ioannis Deretzis

In a number of physical situations, from polarons to Dirac liquids and to non-Fermi liquids, one encounters the "beyond quasiparticles" regime, in which the inelastic scattering rate exceeds the thermal energy of quasiparticles. Transport…

Strongly Correlated Electrons · Physics 2019-08-15 Andrey S. Mishchenko , Lode Pollet , Nikolay V. Prokof'ev , Abhishek Kumar , Dmitrii L. Maslov , Naoto Nagaosa

A method for the study of the electronic transport in strongly coupled electron-phonon systems is formalized and applied to a model of polyyne chains biased through metallic Au leads. We derive a stationary non equilibrium polaronic theory…

Mesoscale and Nanoscale Physics · Physics 2009-09-09 A. La Magna , I. Deretzis , V. Privitera

Different classes of physical systems with sizeable electron-phonon coupling and lattice distortions present anomalous resistivity behaviors versus temperature. We study a molecular lattice Hamiltonian in which polaronic charge carriers…

Superconductivity · Physics 2009-10-31 Marco Zoli