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Energy filtering has been suggested by many authors as a means to improve thermoelectric properties. The idea is to filter away low-energy charge carriers in order to increase Seebeck coefficient without compromising electronic…

Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in…

Materials Science · Physics 2017-10-10 Maribel Núñez-Valdez , Zahed Allahyari , Tao Fan , Artem R. Oganov

The latest achievements in the fabrication of black phosphorus thin layers, towards the technological breakthrough of a phosphorene atomically thin layer, are paving the way for a their employment in electronics, optics, and…

Optics · Physics 2016-12-21 I. Kriegel , S. Toffanin , F. Scotognella

Perovskite material such as BCZT (Ba$_{0.875}$Ca$_{0.125}$(Zr$_{0.125}$Ti$_{0.875}$)O$_{3}$) is well known for its high value of piezoceramic properties and Curie temperature which has potential applications in sensors, actuators,…

Materials Science · Physics 2025-03-27 Debidutta Pradhan , Jagadish Kumar

Engineering materials to include nanoscale porosity or other nanoscale structures has become a well-established strategy for enhancing the thermoelectric performance of dielectrics. However, the approach is only considered beneficial for…

Materials Science · Physics 2021-10-14 Hosseini , S. Aria , Romano , Giuseppe , Greaney , P. Alex

Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an…

Mesoscale and Nanoscale Physics · Physics 2017-09-15 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

We study the thermopower of a junction between a metal and a strongly correlated semiconductor. Both in the electronic ferroelectric regime and in the Kondo insulator regime the thermoelectric figures of merit, ZT, of these junctions are…

Strongly Correlated Electrons · Physics 2009-07-20 Massimo Rontani , L. J. Sham

Thermoelectric (TE) materials research plays a vital role in heat-to-electrical energy conversion and refrigeration applications. Bismuth-antimony (Bi-Sb) alloy is a promising material for thermoelectric cooling. Herein, a high figure of…

Materials Science · Physics 2019-10-16 Sheng Gao , John Gaskins , Xixiao Hu , Kathleen Tomko , Patrick Hopkins , S. Joseph Poon

We apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…

Mesoscale and Nanoscale Physics · Physics 2017-01-27 Moslem Zare , Babak Zare Rameshti , Farnood G. Ghamsari , Reza Asgari

Few-layer and thin film forms of layered black phosphorus (BP) have recently emerged as a promising material for applications in high performance nanoelectronics and infrared optoelectronics. Layered BP thin film offers a moderate bandgap…

Mesoscale and Nanoscale Physics · Physics 2014-11-17 Han Wang , Xiaomu Wang , Fengnian Xia , Luhao Wang , Hao Jiang , Qiangfei Xia , Matthew L. Chin , Madan Dubey , Shu-jen Han

We propose a junction of metal and rare-earth compound semiconductor as the basis for a possible efficient low-temperature thermoelectric device. If an overlayer of rare earth atoms differing from the bulk is placed at the interface, very…

Strongly Correlated Electrons · Physics 2009-10-31 Massimo Rontani , L. J. Sham

Recently, black phosphorus (BP) has joined the two dimensional material family as a promising candidate for photonic applications, due to its moderate bandgap, high carrier mobility, and compatibility with a diverse range of substrates.…

A thermoelectric device is a heat engine that directly converts heat into electricity. Many materials with a high figure of merit ZT have been discovered in anticipation of a high thermoelectric efficiency. However, there has been a lack of…

Heusler compounds have emerged as important thermoelectric materials due to their combination of promising electronic transport properties, mechanical robustness and chemical stability -- key aspects for practical device integration. While…

Black phosphorus presents a very anisotropic crystal structure, making it a potential candidate for hyperbolic plasmonics, characterized by a permittivity tensor where one of the principal components is metallic and the other dielectric.…

Half-Heusler (HH) phases have garnered much attention as thermally stable and non-toxic thermoelectric materials for power conversion. The most studied alloys to date utilize Hf, Zr, and Ti as the base components. These alloys can achieve a…

Materials Science · Physics 2022-10-26 Mousumi Mitra , Allen Benton , Md Sabbir Akhanda , Jie Qi , Mona Zebarjadi , David J. Singh , S. Joseph Poon

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 perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…

Materials Science · Physics 2025-10-28 Bhawna Sahni , Yao Zhao , Zhen Li , Rajeev Dutt , Patrizio Graziosi , Neophytos Neophytou

Low-dimensional layered materials have attracted tremendous attentions due to their wide range of physical and chemical properties and potential applications in electronic devices. Using first-principles method taking into account the…

Materials Science · Physics 2018-08-16 Z. Z. Zhou , H. J. Liu , D. D. Fan , C. Y. Sheng , G. H. Cao

In the present work, we report the experimental thermopower ($\alpha$) data for ZnV$_{2}$O$_{4}$ compound in the high temperature range 300-600 K. The value of $\alpha$ is found to be $\sim$184 and $\sim$126 $\mu$V/K at $\sim$300 and…

Materials Science · Physics 2016-09-30 Saurabh Singh , R. K. Maurya , Sudhir K. Pandey