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Recently, a novel algorithm for computing the density of states in statistical systems and quantum field theories has been proposed. The same method can be applied to theories at finite density affected by the notorious sign problem,…

High Energy Physics - Lattice · Physics 2016-01-13 L. Bongiovanni , K. Langfeld , B. Lucini , R. Pellegrini , A. Rago

We calculate the thermal and thermoelectric transport coefficients for a two-dimensional spin-density-wave metal in the presence of weak disorder and under an external magnetic field using the Mori-Zwanzig memory matrix formalism. As a…

Strongly Correlated Electrons · Physics 2019-05-09 Hermann Freire

We have observed the metal-insulator transition in the strongly correlated insulator FeSi with the chemical substitution of Al at the Si site. The magnetic susceptibility, heat capacity, and field dependent conductivity are measured for Al…

Strongly Correlated Electrons · Physics 2008-02-03 J. F. DiTusa , K. Friemelt , E. Bucher , G. Aeppli , A. P. Ramirez

Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range $300-800$ K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc melting…

Materials Science · Physics 2022-05-04 Shamim Sk , Nisha Shahi , Sudhir K. Pandey

W. Chr. Germs, K. Guo, R. A. J. Janssen, and M. Kemerink [1] recently measured the temperature and concentration dependent seebeck coefficient in organic thin film transistor and found the seebeck coefficient increases with carrier…

Disordered Systems and Neural Networks · Physics 2012-12-04 Ling Li , Nianduan Lu , Ming Liu

We fabricated high-mobility {\delta}-doped structures in SrTiO3 thin films in order to investigate the low temperature electronic transport properties of confined carriers in this system. An enhancement of the electron mobility above the…

Strongly Correlated Electrons · Physics 2012-11-14 Y. Kozuka , M. Kim , H. Ohta , Y. Hikita , C. Bell , H. Y. Hwang

We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…

Materials Science · Physics 2020-02-19 Nakib H. Protik , David A. Broido

A final-state-effects formalism suitable to analyze the high-momentum response of Fermi liquids is presented and used to study the dynamic structure function of liquid $^3$He. The theory, developed as a natural extension of the…

Statistical Mechanics · Physics 2009-11-10 F. Mazzanti , A. Polls , J. Boronat , J. Casulleras

Electron-doped strontium titanate $\rm{SrTiO_3}$, known to be one of the most dilute superconductors, is investigated on the basis of the first-principles calculations. When the carrier density n decreases, the frequencies of the…

Superconductivity · Physics 2025-09-16 Riku Ikaida , Kazuhiro Sano , Yoshimi Masuda , Takuya Sekikawa , Yoshiaki Ōno

The strain effect on electronic structure and thermoelectric properties of Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found that the…

Materials Science · Physics 2016-09-21 Do Duc Cuong , JinSik Park , S. H. Rhim , Soon Cheol Hong

Doped films of organic small molecules are investigated with respect to their thermoelectric properties. A variety of hosts and dopants, for both n and p-doping, are compared. C$_{60}$ n-doped by Cr$_2$(hpp)$_4$ or o-MeO-DMBI-I are found to…

Materials Science · Physics 2014-01-08 Torben Menke

We study the influence of inelastic electron-electron scattering on the temperature variation of the Seebeck coefficient in the normal phase of quasi-one-dimensional organic superconductors. The theory is based on the numerical solution of…

Strongly Correlated Electrons · Physics 2016-12-07 M. Shahbazi , C. Bourbonnais

While thermoelectric transport theory is well established and widely applied, there remains some degree of confusion on the proper thermodynamic definition of the Seebeck coefficient (or thermoelectric power) which is a measure of the…

Materials Science · Physics 2016-04-05 Y. Apertet , H. Ouerdane , C. Goupil , Ph. Lecoeur

In this work we develop and implement a novel Bayesian method for computing the DOS of a system. This method is based on the use of a test function with adjustable parameters and we use Bayes theorem to find the best parameters given a…

Statistical Mechanics · Physics 2021-12-28 Felipe Moreno , Sergio Davis , Joaquín Peralta

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern electronic structure theory. It also underpins the computation…

Materials Science · Physics 2021-01-04 Chiheb Ben Mahmoud , Andrea Anelli , Gábor Csányi , Michele Ceriotti

Heavily doped semiconductors are by far the most studied class of materials for thermoelectric applications in the past several decades. They have Seebeck coefficient values which are 2-3 orders of magnitude higher than metals, making them…

Materials Science · Physics 2019-09-11 Maxime Markov , Emad Rezaei , Safoura Nayeb Sadeghi , Keivan Esfarjani , Mona Zebarjadi

The properties of Cu$_{x}$TiSe$_{2}$ are studied by band structure calculation based on the density functional theory for supercells. The density-of-states (DOS) for $x$=0 has a sharply raising shoulder in the neighborhood of the Fermi…

Materials Science · Physics 2009-11-11 T. Jeong , T. Jarlborg

We develop a general framework to calculate the many-body density of states (DOS) of isolated and interacting quantum systems. Based on the generalized coherent state formalism and the Simon-Lieb bounds for a quantum partition function, our…

Strongly Correlated Electrons · Physics 2026-04-17 Deniz Coskun , R. Chitra

The heat transport in heavy-doped n-GaAs has been investigated at temperatures T=300 K and 77 K using the irradiation of the metal-semiconductor contact by modulated CO_{2}-laser radiation. It is shown this approach giving an opportunity to…

Materials Science · Physics 2007-05-23 A. Ya. Shul'man , N. A. Mordovets , I. N. Kotel'nikov

Critical thermoelectric parameters including Seebeck coefficient, electrical conductivity, thermal conductivity and figure of merit ZT of one-dimensional coaxial Bi2Te3/Sb2Te3 nanocomposite were modeled by following the single carrier…

Materials Science · Physics 2011-01-31 Qilin Gu