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Based on the concept of band bending at metal/semiconductor interfaces as an energy filter for electrons, we present a theory for the enhancement of the thermoelectric properties of semiconductor materials with metallic nanoinclusions. We…

Materials Science · Physics 2008-07-03 Sergey V. Faleev , François Léonard

We show that a molecular junction can give large values of the thermoelectric figure of merit $ZT$, and so could be used as a solid state energy conversion device that operates close to the Carnot efficiency. The mechanism is similar to the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Padraig Murphy , Subroto Mukerjee , Joel Moore

We investigate the thermoelectric properties of a T-shaped double quantum dot system described by a generalized Anderson Hamiltonian. The system's electrical conduction (G) and the fundamental thermoelectric parameters such as the Seebeck…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 A. L. Monteros , G. S. Uppal , S. R. McMillan , M. Crisan , I. Tifrea

Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials at high temperatures due to the reduction in the Seebeck coefficient and the introduction of an additional term to the thermal…

Materials Science · Physics 2019-03-27 Samuel Foster , Neophytos Neophytou

In this work, we try to understand the experimental thermoelectric (TE) properties of a ZrNiSn sample with DFT and semiclassical transport calculations using SCAN functional. SCAN and mBJ provide the same band gap $E_{g}$ of $\sim$0.54 eV.…

Strongly Correlated Electrons · Physics 2020-06-24 Shivprasad S. Shastri , Sudhir K. Pandey

Thermoelectric phenomena are traditionally associated with the interconversion of thermal and electrical energy in many-body systems. In the context of high-temperature quantum chromodynamics (QCD) matter produced in relativistic heavy-ion…

High Energy Physics - Phenomenology · Physics 2025-12-09 Kamaljeet Singh , Raghunath Sahoo

The electronic properties of the layered black phosphorus (black-P) and its monolayer counterpart phosphorene are investigated by using the first-principles calculations based on the density functional theory (DFT). The room-temperature…

Materials Science · Physics 2014-04-22 H. Y. Lv , W. J. Lu , D. F. Shao , Y. P. Sun

Lower-dimensional TMDC materials are suitable for thermoelectric applications for their specific quantum confinement and being distinct in the density of states (DOS). Here we investigated thermoelectric parameters of the 2D TMDC monolayer…

Computational Physics · Physics 2022-06-22 Chayan Das , Atanu Betal , Jayanta Bera , Satyajit Sahu

Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than…

Mesoscale and Nanoscale Physics · Physics 2022-02-16 Masashi Hosoi , Ikuma Tateishi , Hiroyasu Matsuura , Masao Ogata

We consider the thermoelectric response of chaotic or disordered quantum dots in the limit of phase-coherent transport, statistically described by random matrix theory. We calculate the full distribution of the thermoelectric coefficients…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Robert S. Whitney , Keiji Saito

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

In this work, we investigate thermoelectric properties of junctions consisting of two partially overlapped graphene sheets coupled to each other in the cross-plane direction. It is shown that because of the weak van-der Waals interactions…

Mesoscale and Nanoscale Physics · Physics 2014-10-07 V. Hung Nguyen , M. Chung Nguyen , Huy-Viet Nguyen , J. Saint-Martin , P. Dollfus

We study the electronic transport coefficients and the thermoelectric figure of merit ZT in $n$-doped Mg$_3$Sb$_2$ based on density-functional electronic structure and Bloch-Boltzmann transport theory with an energy- and…

Materials Science · Physics 2019-01-07 Roberta Farris , Maria Barbara Maccioni , Alessio Filippetti , Vincenzo Fiorentini

We use semiclassical Boltzmann transport theory to analytically study the electronic contribution to the linear thermoelectric response of anisotropic two-dimensional materials subjected to a perpendicular magnetic field. Conventional…

Mesoscale and Nanoscale Physics · Physics 2025-07-15 Maryam Nezafat , Shahin Barati , Saeed H. Abedinpour

The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Van-Truong Tran , Jérôme Saint Martin , Philippe Dollfus

The thermoelectric properties of two typical SiGe nanotubes are investigated using a combination of density functional theory, Boltzmann transport theory, and molecular dynamics simulations. Unlike carbon nanotubes, these SiGe nanotubes…

Materials Science · Physics 2015-02-24 J. Wei , H. J. Liu , X. J. Tan , L. Cheng , J. Zhang , D. D. Fan , J. Shi , X. F. Tang

Thermoelectric (TE) devices have been attracting increasing attention because of their ability to convert heat directly to electricity. To date, improving the TE figure of merit remains the key challenge. The advent of the topological…

Mesoscale and Nanoscale Physics · Physics 2016-08-02 T. H. Wang , H. T. Jeng

The enhancement of thermoelectric figure of merit ZT requires to either increase the power factor or reduce the phonon conductance, or even both. In graphene, the high phonon thermal conductivity is the main factor limiting the…

Mesoscale and Nanoscale Physics · Physics 2016-09-19 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

We present an investigation of heat transport in gapless graphene-based Ferromagnetic /singlet Superconductor/Ferromagnetic (FG$\mid$SG$\mid$FG) junctions. We find that unlike uniform increase of thermal conductance vs temperature, the…

Superconductivity · Physics 2011-11-01 Morteza Salehi , Mohammad Alidoust , Yousef Rahnavard , Gholamreza Rashedi

The thermoelectric figure of merit of the Heusler alloy TiFe$_{1.5}$Sb was investigated by first-principles calculations of lattice thermal conductivity. The electronic thermal conductivity, electrical conductivity, and Seebeck coefficient…

Materials Science · Physics 2025-05-27 Rifky Syariati , Athorn Vora-ud , Fumiyuki Ishii , Tosawat Seetawan