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A new thermoelectric effect mechanism inspired by an autonomous Maxwell's demon [P. Strasberg, G. Schaller, T. Brandes, and M. Esposito, Phys. Rev. Lett. 110, 040601 (2013)] is proposed. In contrast to the former work where a model for…

Mesoscale and Nanoscale Physics · Physics 2020-12-07 Yugo Onishi , Naoto Nagaosa

We study a thermal gradient induced current $\left(I_{th}\right)$ flow in potassium-doped two-dimensional anisotropic black phosphorus (BP) with semi-Dirac dispersion. The prototype device is a BP channel clamped between two contacts…

Materials Science · Physics 2018-04-04 Parijat Sengupta , Saptarshi Das , Junxia Shi

In this work, we report the fabrication of a high temperature measurement setup to measure Figure of merit (ZT). This setup facilitates the simultaneous measurement of Seebeck coefficient ({\alpha}), thermal conductivity (\kappa), and…

Instrumentation and Detectors · Physics 2018-01-09 Ashutosh Patel , Sudhir K. Pandey

We introduce a simple but efficient electronic fitness function (EFF) that describes the electronic aspect of the thermoelectric performance. This EFF finds materials that overcome the inverse relationship between $\sigma$ and $S$ based on…

Materials Science · Physics 2017-11-22 Guangzong Xing , Jifeng Sun , Yuwei Li , Xiaofeng Fan , Weitao Zheng , David J. Singh

Zinc phosphorus trisulfide (ZnPS$_3$), a promising material for photocatalysis and energy storage, is shown in this study to exhibit remarkable stability under extreme conditions. We explore its optical and structural properties under high…

N-type Bi100-xSbx alloys have the highest thermoelectric figure of merit (zT) of all materials below 200K; here we investigate how filling multiple valence band pockets at T and H-points of the Brillouin zone produces high zT in p-type…

Materials Science · Physics 2013-08-13 Hyungyu Jin , Christopher M. Jaworski , Joseph P. Heremans

The lattice thermal conductivity ($\kappa_{\rm L}$) of PbTiO$_3$ (PTO) is estimated using a combination of {\em ab initio} calculations and semiclassical Boltzmann transport equation. The computed $\kappa_{\rm L}$ is remarkably low, nearly…

Materials Science · Physics 2016-03-23 Anindya Roy

Using first-principles density-functional theory calculations, we predict the potential for unprecedented thermoelectric efficiency $zT=5$ at 800 K in $n$-type Ba$_{2}$BiAu full-Heusler compound. Such a high efficiency arises from an…

Materials Science · Physics 2019-02-06 Junsoo Park , Yi Xia , Vidvuds Ozoliņš

Mid-infrared saturable absorber mirror is successfully fabricated by transferring the mechanically exfoliated black phosphorus onto the gold-coated mirror. With the as-prepared black phosphorus saturable absorber mirror, a continuous-wave…

Optics · Physics 2015-09-23 Zhipeng Qin , Guoqiang Xie , Chujun Zhao , Shuangchun Wen , Peng Yuan , Liejia Qian

Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which has attracted tremendous interest recently. Its potential…

Materials Science · Physics 2015-02-06 Guangzhao Qin , Qing-Bo Yan , Zhenzhen Qin , Sheng-Ying Yue , Ming Hu , Gang Su

Motivated by recent experimental realizations of quintuple atomic layer films of Bi2Te3,the thermoelectric figure of merit, ZT, of the quintuple layer is calculated and found to increase by a factor of 10 (ZT = 7.2) compared to that of the…

Materials Science · Physics 2015-05-20 Ferdows Zahid , Roger Lake

Black phosphorus (BP), a two-dimensional (2D) van der Waals layered material composed of phosphorus atoms, has been one of the most actively studied 2D materials in recent years due to its tunable energy band gap (tunable even to a negative…

Mesoscale and Nanoscale Physics · Physics 2019-04-08 Sanghyun Park , Seungchan Woo , Hongki Min

The thermoelectric characteristics of lead selenium (PbSe) doped with gallium (Ga) are investigated in this study. When the lead sulfide (PbSe) is tuned with appropriate dopants, it exhibits satisfactory ZT values, hence making it a…

Materials Science · Physics 2025-04-01 Md. Moklesur Rahman , Md Kamal Hossain , Fateha Samad , Fysol Ibna Abbas

While the thermoelectric figure of merit zT above 300K has seen significant improvement recently, the progress at lower temperatures has been slow, mainly limited by the relatively low Seebeck coefficient and high thermal conductivity. Here…

Materials Science · Physics 2016-02-17 Jiawei Zhou , Bolin Liao , Bo Qiu , Samuel Huberman , Keivan Esfarjani , Mildred S. Dresselhaus , Gang Chen

We investigate the thermoelectric properties of ${\beta}$-FeSi$_{\text2}$ using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both \textit{p}- and \textit{n}-type…

Materials Science · Physics 2015-06-17 Tribhuwan Pandey , David J. Singh , David Parker , Abhishek K. Singh

Half-Heusler phases (space group F43m, C1b) have recently captured much attention as promising thermoelectric materials for heat-to-electric power conversion in the mid-to-high temperature range. The most studied ones are the RNiSn-type…

Materials Science · Physics 2018-12-06 S. Joseph Poon

Whereas thermoelectric performance is normally limited by the figure of merit ZT, transverse thermoelectrics can achieve arbitrarily large temperature differences in a single leg even with inferior ZT by being geometrically tapered. We…

Materials Science · Physics 2015-06-15 Chuanle Zhou , S. Birner , Yang Tang , K. Heinselman , M. Grayson

We calculate the lattice thermal conductivities of the pyrite-type ZnSe2 at pressures of 0 and 10 GPa using the linearized phonon Boltzmann transport equation. We obtain a very low value [0.69 W/(mK) at room temperature at 0 GPa],…

Materials Science · Physics 2020-10-07 Tiantian Jia , Jesus Carrete , Zhenzhen Feng , Shuping Guo , Yongsheng Zhang , Georg K. H. Madsen

Low-dimensional materials, due to their versatile properties are very interesting for numerous electronics and optoelectronics applications. Recently rediscovered black phosphorus, with a graphite-like structure can be exfoliated up to the…

First principle calculations are performed to investigate the effect of polar order strength on the thermoelectric (TE) properties of GeTe alloy in its rhombohedral structure. The variation in the polarization state using various…

Computational Physics · Physics 2026-01-06 Aida Sheibani , Charles Paillard , Abhyian Pandit , Raad Haleoot , Laurent Bellaiche , Bothina Hamad