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While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

Materials Science · Physics 2015-10-20 Tian Lan

Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…

Mesoscale and Nanoscale Physics · Physics 2012-04-26 Jie Ren , Jian-Xin Zhu , James E. Gubernatis , Chen Wang , Baowen Li

Nonreciprocal charge transport in solids, where resistance is different between rightward and leftward currents, is a key function of rectifying devices in the modern electronics, as exemplified by $p$-$n$ semiconductor junctions. Recently,…

Strongly Correlated Electrons · Physics 2025-01-14 M. Kondo , M. Kimata , M. Ochi , T. Kaneko , K. Kuroki , K. Sudo , S. Sakaguchi , H. Murakawa , N. Hanasaki , H. Sakai

In this work, a new theoretical approach to study the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. The proposed approach consists in a…

Mesoscale and Nanoscale Physics · Physics 2013-07-31 R. Seoane Souto , A. Levy Yeyati , A. Martín-Rodero , R. C. Monreal

It can be seen by Dynamic Electrical Analysis that the electrical properties of polyetherimide at temperatures above the glass transition are strongly influenced by space charge. We have studied space charge relaxation in two commercial…

Materials Science · Physics 2021-04-01 M. Mudarra , J. Sellares , J. C. Canadas , J. A. Diego

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

Electronic polarization and charge transfer effects play a crucial role in thermodynamic, structural and transport properties of room-temperature ionic liquids (RTILs). These non-additive interactions constitute a useful tool for tuning…

Materials Science · Physics 2014-09-09 Vitaly V. Chaban , Oleg V. Prezhdo

We present a Green's function based treatment of the effects of electron-phonon coupling on transport through a molecular quantum dot in the quantum limit. Thereby we combine an incomplete variational Lang-Firsov approach with a…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 T. Koch , J. Loos , A. Alvermann , A. R. Bishop , H. Fehske

Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and subsequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here,…

Materials Science · Physics 2025-06-30 Dipti Jasrasaria , Timothy C. Berkelbach

The Bose polaron has attracted theoretical and experimental interest because the mobile impurity is surrounded by a bath that undergoes a superfluid-to-normal phase transition. Although many theoretical works have studied this system in its…

Quantum Gases · Physics 2021-11-12 Gerard Pascual , Jordi Boronat

We present an extension of the work of D'Amato and Pastawski on electron transport in a one-dimensional conductor modeled by the tight binding lattice Hamiltonian and in which inelastic scattering is incorporated by connecting each site of…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Dibyendu Roy , Abhishek Dhar

Theory of low temperature kinetic phenomena in metals without inversion center is developed. Kinetic properties of a metal without inversion center are described by four kinetic equations for the diagonal (intra-band) and the off-diagonal…

Strongly Correlated Electrons · Physics 2020-05-19 V. P. Mineev

The electrical resistivity, thermoelectric power and electronic thermal conductivity of simple (isotropic) metals are studied in a uniform way. Starting from results of a variational solution of the Boltzmann equation, a generalized…

Materials Science · Physics 2009-11-07 M. Ausloos , K. Durczewski , J. Ulner

Recent advances in synthesis and electrical characterization of nanofibers and nanotubes made out of various conjugated polymers attract attention of the research community to studies of transport properties of these materials. In this work…

Mesoscale and Nanoscale Physics · Physics 2013-01-22 Natalya A. Zimbovskaya

We study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green's functions. This representation accounts for the atomic degrees of freedom making it particularly suited…

Mesoscale and Nanoscale Physics · Physics 2017-10-10 Marcone I. Sena-Junior , Leandro R. F. Lima , Caio H. Lewenkopf

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

The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…

Materials Science · Physics 2025-01-31 Aloïs Castellano , J. P. Alvarinhas Batista , Olle Hellman , Matthieu J. Verstraete

The highly conductive layered metallic oxide \pdcoo{} is a near-perfect analogue to an alkali metal in two dimensions. It is distinguished from other two-dimensional electron systems where the Fermi surface does not reach the Brillouin zone…

Strongly Correlated Electrons · Physics 2015-01-21 Ramzy Daou , Raymond Frésard , Sylvie Hébert , Antoine Maignan

We have conducted a thorough theoretical and numerical investigation of the electronic susceptibility, polarizability, plasmons, their damping rates, as well as the static screening in pseudospin-1 Dirac cone materials with a flat band, or…

Phonon quasi-particles have been monumental in microscopically understanding thermodynamics and transport properties in condensed matter for decades. Phonons have one-to-one correspondence with harmonic eigenstates and their energies are…

Materials Science · Physics 2024-08-27 Jaeyun Moon , Leo Zella , Lucas Lindsay