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We employ density functional theory to investigate the thermoelectric properties of electron and hole doped PtSb$_2$. Our results show that for doping of 0.04 holes per unit cell (1.5$\times10^{20}$ cm$^{-3}$) PtSb$_2$ shows a high Seebeck…

Materials Science · Physics 2014-02-19 Y. Saeed , N. Singh , Schwingenschlögl

The field of thermoelectric materials has undergone a revolutionary transformation over the last couple of decades as a result of the ability to nanostructure and synthesize myriads of materials and their alloys. The ZT figure of merit,…

Thermoelectric (TE) refrigeration such as Peltier cooler enables a unique opportunity in electric energy to directly convert thermal energy. Here, we propose a TE module with both refrigeration and power generation modes by utilizing…

Materials Science · Physics 2021-01-14 Takahiro Chiba , Takashi Komine

We have investigated the electronic and thermoelectric properties of half-Heusler alloys NiTZ (T = Sc, and Ti; Z = P, As, Sn, and Sb) having 18 valence electron. Calculations are performed by means of density functional theory and Boltzmann…

Half Heusler (HH) thermoelectric alloys provide a wide platform to choose materials with non-toxic and earth abundant elements. This article presents an ab-initio theoretical evaluation of electrical and thermal transport properties of…

Materials Science · Physics 2016-10-21 Vikram , Jiban Kangsabanik , Enamullah , Aftab Alam

Black phosphorus is a layered semiconductor that is intensely researched in view of applications in optoelectronics. In this Letter, we investigate a multi-layer black phosphorus photo-detector that is capable of acquiring high-contrast…

Materials Science · Physics 2016-01-12 Michael Engel , Mathias Steiner , Phaedon Avouris

Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…

Searching for the high-performance thermoelectric (TE) materials has always been a long-held dream in the thermoelectricity field. Recently, it is found in experiments that the largest figure of merit ZT of $2.6$ can be reached in SnSe…

Materials Science · Physics 2019-04-15 Xiuxian Yang , Zhenhong Dai , Yinchang Zhao , Sheng Meng

Results of the measurements of thermoelectric properties of thin semiconductor microwires of Pb1-xTlxTe (x=0,001-0,02, d=5-100mkm) in the temperature region 4,2-300 K, which were obtained from solution melt by the filling of the quartz…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 E. Zasavitsky

The thermoelectric figure of merit ZT, which is defined using electrical conductivity, Seebeck coefficient, thermal conductivity, and absolute temperature T, has been widely used as a simple estimator of the conversion efficiency of a…

Applied Physics · Physics 2020-05-18 Byungki Ryu , Jaywan Chung , Eun-Ae Choi , Pawel Ziolkowski , Eckhard Müller , SuDong Park

We performed Boltzmann transport calculation to obtain the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and thermoelectric figure of merit (ZT) for Dirac systems. We found an enhancement of ZT due to the…

Mesoscale and Nanoscale Physics · Physics 2018-10-04 Eddwi H. Hasdeo , Lukas P. A. Krisna , Ahmad R. T. Nugraha

The layered Bi-chalcogenide compounds have been drawing much attention as a new layered superconductor family since 2012. Due to the rich variation of crystal structure and constituent elements, the development of new physics and chemistry…

Materials Science · Physics 2016-04-29 Yoshikazu Mizuguchi , Atsuhiro Nishida , Atsushi Omachi , Osuke Miura

The design of uranium-based thermoelectric materials presents a novel and intriguing strategy for directly converting nuclear heat into electrical power. Using high-level first-principles approach combined with accurate solution of…

Materials Science · Physics 2019-12-30 Z. Z. Zhou , D. D. Fan , H. J. Liu , J. Liu

Half-Heusler (HH) phases (space group F43m, Clb) are increasingly gaining attention as promising thermoelectric materials in view of their thermal stability, scalability, and environmental benignity as well as efficient power output. Until…

Materials Science · Physics 2016-08-24 L. Chen , X. Zeng , T. M. Tritt , S. J. Poon

We review the basic optical, electronic, optoelectronic, thermoelectric and mechanical properties of few-layer black phosphorus (BP), a layered semiconductor that can be exfoliated from bulk BP, the most stable allotrope of phosphorus. The…

Mesoscale and Nanoscale Physics · Physics 2017-10-17 Andrey Chaves , W. Ji , J. Maassen , T. Dumitrica , T. Low

Phosphorene, the 2D material derived from black phosphorus, has recently attracted a lot of interest for its properties, suitable for applications in material science. In particular, the physical features and the prominent chemical…

In this work, we reported uniform layer-by-layer sublimation of black phosphorus under heating below 600 K. The uniformity and crystallinity of BP samples after thermal thinning were confirmed by Raman spectra and 2D Raman imaging. A…

Materials Science · Physics 2017-08-02 Weijun Luo , Rui Yang , Jialun Liu , Yunlong Zhao , Wenjuan Zhu , Guangrui , Xia

High thermoelectric performance in oxides requires stable conductive materials that have suitable band structures. Here we show based on an analysis of the thermopower and related properties using first-principles calculations and Boltzmann…

Materials Science · Physics 2013-04-22 Xin Chen , David Parker , Mao-Hua Du , David J. Singh

The addition of porosity to thermoelectric materials can significantly increase the figure of merit, ZT, by reducing the thermal conductivity. Unfortunately, porosity is also detrimental to the thermoelectric power factor in the numerator…

Mesoscale and Nanoscale Physics · Physics 2021-03-29 S. Aria Hosseini , Giuseppe Romano , P. Alex Greaney

Single crystals of orthorhombic black phosphorus can be grown by a short way transport reaction from red phosphorus and Sn/SnI4 as mineralization additive. Sizes of several millimeters can be realized with high crystal quality and purity,…