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We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…

Materials Science · Physics 2018-10-26 Z. Wang , S. Wang , S. Obukhov , N. Vast , J. Sjakste , V. Tyuterev , N. Mingo

Heat capacity measurements of the delta-phase stabilized alloy Pu-Al suggest that strong electron-phonon coupling is required to explain the moderate renormalization of the electronic density of states near the Fermi energy. We calculate…

Materials Science · Physics 2011-04-08 M. J. Graf , T. Lookman , J. M. Wills , D. C. Wallace , J. C. Lashley

We extend a special kind of localized state trapped at the intersection due to the geometric confinement, first proposed in a three-terminal-opening T-shaped structure [Euro. Phys. Lett. {\bf 55}, 539 (2001)], into a ring geometry with a…

Mesoscale and Nanoscale Physics · Physics 2014-08-26 F. Yang , M. W. Wu

We present a detailed study on the influence of strong electron-phonon coupling to the photoemission spectra of lead. Representing the strong-coupling regime of superconductivity, the spectra of lead show characteristic features that…

Superconductivity · Physics 2009-11-10 F. Reinert , B. Eltner , G. Nicolay , D. Ehm , S. Schmidt , S. Huefner

Numerical studies of amorphous silicon in harmonic approximation show that the highest 3.5% of vibrational normal modes are localized. As vibrational frequency increases through the boundary separating localized from delocalized modes, near…

Disordered Systems and Neural Networks · Physics 2007-05-23 William Garber , Folkert M. Tangerman , Philip B. Allen , Joseph L. Feldman

We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe$_2$. We observe a complete softening of a transverse optic phonon at the L point, i.e. q = (0.5, 0, 0.5), at T ~…

Strongly Correlated Electrons · Physics 2015-05-28 F. Weber , S. Rosenkranz , J. -P. Castellan , R. Osborn , G. Karapetrov , R. Hott , R. Heid , K. -P. Bohnen , A. Alatas

ZrSiS, an intriguing candidate of topological nodal line semimetals, was discovered to have exotic surface floating two-dimensional (2D) electrons [Phys. Rev. X 7, 041073 (2017)], which are likely to interact with surface phonons. Here, we…

Controlling a thickness dependence of electronic properties for two-dimensional (2d) materials is among primary goals for their large-scale applications. Herein, employing a first-principles computational approach, we predict that Si…

Materials Science · Physics 2018-02-14 Oleksandr I. Malyi , Kostiantyn V. Sopiha , Ihor Radchenko , Ping Wu , Clas Persson

Here we present a theoretical analysis of inelastic effects on thermoelectric properties of molecular-scale junction in both linear and nonlinear response regimes. Considered device is composed of molecular quantum dot (with discrete energy…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Kamil Walczak

We calculate that the electron states of strained self-assembled Ge/Si quantum dots provide a convenient two-state system for electrical control. An electronic state localized at the apex of the quantum dot is nearly degenerate with a state…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 C. E. Pryor , M. E. Flatté , J. Levy

We report X-band EPR and $^{125}$Te and $^{77}$Se NMR measurements on single-crystalline superconducting FeSe$_{0.42}$Te$_{0.58}$ ($T_c$ = 11.5(1) K). The data provide evidence for the coexistence of intrinsic localized and itinerant…

Superconductivity · Physics 2011-08-23 D. Arcon , P. Jeglic , A. Zorko , A. Potocnik , A. Y. Ganin , Y. Takabayashi , M. J. Rosseinsky , K. Prassides

We study the (de)localization phenomena of one-component lattice fermions in spin backgrounds. The O(3) classical spin variables on sites fluctuate thermally through the ordinary nearest-neighbor coupling. Their complex two-component…

Strongly Correlated Electrons · Physics 2018-11-21 Tetsuya Takaishi , Kazuhiko Sakakibara , Ikuo Ichinose , Tetsuo Matsui

A nearest-neighbor tight-binding model on a tree structure is investigated. The full energy spectrum of the normalized Hamiltonian can be expressed in terms of successively increasing number of contributions at any finite step of…

Statistical Mechanics · Physics 2018-04-04 Pinchen Xie , Bingjia Yang , Zhongzhi Zhang , R. F. S. Andrade

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

The electron-phonon matrix element for edge states of carbon nanotubes and graphene at zigzag edges is calculated for obtaining renormalized energy dispersion of the edge states. Self-energy correction by electron-phonon interaction…

Mesoscale and Nanoscale Physics · Physics 2007-06-21 K. Sasaki , K. Sato , J. Jiang , R. Saito , S. Onari , Y. Tanaka

The distribution function of local amplitudes of single-particle states in disordered conductors is calculated on the basis of the supersymmetric $\sigma$-model approach using a saddle-point solution of its reduced version. Although the…

Condensed Matter · Physics 2009-10-28 Vladimir I. Fal'ko , K. Efetov

We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…

Materials Science · Physics 2007-05-23 J. M. Pruneda , S. K. Estreicher , J. Junquera , J. Ferrer , P. Ordejon

We study electronic properties as a function of the six types of local environments found in the octagonal tiling. The density of states has six characteristic forms, although the detailed structure differs from site to site since no two…

Condensed Matter · Physics 2009-10-22 A. Jagannathan

The vibrational properties of model amorphous materials are studied by combining complete analysis of the vibration modes, dynamical structure factor and energy diffusivity with exact diagonalization of the dynamical matrix and the Kernel…

Disordered Systems and Neural Networks · Physics 2016-02-18 Y. M. Beltukov , C. Fusco , D. A. Parshin , A. Tanguy

Weak localization has a strong influence on both the normal and superconducting properties of metals. In particular, since weak localization leads to the decoupling of electrons and phonons, the temperature dependence of resistance…

Disordered Systems and Neural Networks · Physics 2007-05-23 Yong-Jihn Kim