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The monolayer of black phosphorous, or phosphorene, has recently emerged as a new 2D semiconductor with intriguing highly anisotropic transport properties. Existing calculations of its intrinsic phonon-limited electronic transport…

Materials Science · Physics 2015-06-24 Bolin Liao , Jiawei Zhou , Bo Qiu , Mildred S. Dresselhaus , Gang Chen

Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interactions from first-principles with methods beyond…

Materials Science · Physics 2025-08-21 Aleksandr Poliukhin , Nicola Colonna , Francesco Libbi , Samuel Poncé , Nicola Marzari

By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single molecular junction (SMJ) coupled with a vibrational mode. We show that the…

Mesoscale and Nanoscale Physics · Physics 2015-09-28 Guo-Hui Ding , Bing Dong

The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on temperature, are greatly impacted by the nonlocal…

Materials Science · Physics 2012-06-06 Yuan Li , Yuanping Yi , Veaceslav Coropceanu , Jean-Luc Brédas

We present a self-consistent analysis of the photoemission spectral function A(k, w) of graphene monolayers grown epitaxially on SiC(0001). New information derived from spectral intensity anomalies (in addition to linewidths and peak…

Strongly Correlated Electrons · Physics 2008-09-25 Jessica L. McChesney , Aaron Bostwick , Taisuke Ohta , Konstantin Emtsev , Thomas Seyller , Karsten Horn , Eli Rotenberg

We present a technique to calculate the transport properties through one-dimensional models of molecular wires. The calculations include inelastic electron scattering due to electron-lattice interaction. The coupling between the electron…

Condensed Matter · Physics 2009-10-31 H. Ness , S. A. Shevlin , A. J. Fisher

The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 K. M. Borysenko , J. T. Mullen , E. A. Barry , S. Paul , Y. G. Semenov , J. M. Zavada , M. Buongiorno Nardelli , K. W. Kim

A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 San-Huang Ke , Harold U. Baranger , Weitao Yang

Understanding of the energy exchange between electrons and phonons in metals is important for micro- and nano-manufacturing and system design. The electron-phonon (e-ph) coupling constant is to describe such exchange strength, yet its…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Wuli Miao , Moran Wang

Here we present a theoretical analysis of the effect of inelastic electron scattering on spin-dependent transport characteristics (conductance, current-voltage dependence, magnetoresistance, shot noise spectrum, Fano factor) for magnetic…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

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

On the basis of the nonequilibrium Green's function and nonperturbative canonical transformation for the local electron-phonon interaction (EPI), the quantum transport through a single-molecule transistor(SMT) has been investigated with a…

Mesoscale and Nanoscale Physics · Physics 2016-08-16 Zuo-Zi Chen , Rong Lü , Bang-fen Zhu

The spectrum of electron-phonon complexes in a monolayer graphene is investigated in the presence of a perpendicular quantizing magnetic field. Despite the small electron-phonon coupling, usual perturbation theory is inapplicable for…

Mesoscale and Nanoscale Physics · Physics 2013-01-21 J. Zhu , S. M. Badalyan , F. Peeters

We compute the finite-temperature single-particle spectral function of a one-dimensional Luttinger liquid coupled to an optical phonon band. The calculation is performed exactly for the case in which electron-phonon coupling is purely…

Strongly Correlated Electrons · Physics 2007-05-23 Ian P. Bindloss , Steven A. Kivelson

A self-consistent quantum-kinetic model is developed for studying strong-field nonlinear electron transport interacting with force-driven phonons within a quantum-wire system. For this model, phonons can be dragged into motion through…

Mesoscale and Nanoscale Physics · Physics 2024-01-17 Xuejun Lu , Danhong Huang

Theory of electron-acoustic single phonon scattering has been reconsidered. It is assumed that the non-degenerate semiconductor has a spherical parabolic band structure. In the basis of the reconsideration there is a phenomenon of the…

Materials Science · Physics 2015-06-15 S. V. Melkonyan , A. L. Harutyunyan , T. A. Zalinyan

Recent experimental advances in scanning tunneling microscopy make the measurement of the conductance spectra of isolated and magnetically coupled atoms on nonmagnetic substrates possible. Notably these spectra are characterized by a…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Aaron Hurley , Nadjib Baadji , Stefano Sanvito

The conductance through a molecular device including electron-electron and electron-phonon interactions is calculated using the Numerical Renormalization Group method. At low temperatures and weak electron-phonon coupling the properties of…

Strongly Correlated Electrons · Physics 2007-05-23 P. S. Cornaglia , H. Ness , D. R. Grempel

Luminescence spectroscopy experiments were realized for single colloidal quantum dots CdSe/ZnS in a broad temperature range above room temperature in a nitrogen atmosphere. Broadening and shifts of spectra due to the temperature change as…

Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, while also providing insight into fundamental quantum phenomena.…

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