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Thermoelectric effects enable the direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~ 1) among…

Materials Science · Physics 2011-11-16 Deepa Kasinathan , Vicente Pacheco-Espejel , Helge Rosner

We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…

Materials Science · Physics 2022-01-27 Gautam Sharma , K. C. Bhamu

We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and topological properties of tellurium across its dimensional hierarchy, including bulk trigonal Te-I, two-dimensional tellurene…

Materials Science · Physics 2026-02-17 Gabriel Elyas Gama Araujo , Andreia Luisa da Rosa

In recent years, researchers have manifested their interest in the two-dimensional (2D) mono-elemental materials of group-VI elements because of their excellent optoelectronic, photovoltaic and thermoelectric properties. Despite the…

Materials Science · Physics 2023-05-22 Jaspreet Singh , Ashok Kumar

We investigated the thermoelectric properties of the 2D monolayer of WX2N4 using Density Functional Theory combined with Boltzmann Transport Equation. We obtained an outstanding thermoelectric figure of merit of 0.91 at 400K for p-type…

Materials Science · Physics 2023-04-03 Chayan Das , Dibyajyoti Saikia , Atanu Betal , Satyajit Sahu

Low-dimensional materials, in which the electronic and transport properties are drastically modified in comparison to those of three-dimensional bulk materials, yield a key class of thermoelectric materials with high conversion efficiency.…

Strongly Correlated Electrons · Physics 2024-05-14 Kyohei Eguchi , Takeru Ito , Yoshiki J. Sato , Ryuji Okazaki , Hiromi Taniguchi

Half-Heusler compounds usually exhibit relatively higher lattice thermal conductivity that is undesirable for thermoelectric applications. Here we demonstrate by first-principles calculations and Boltzmann transport theory that the BiBaK…

Materials Science · Physics 2020-08-26 S. H. Han , Z. Z. Zhou , C. Y. Sheng , J. H. Liu , L. Wang , H. M. Yuan , H. J. Liu

Thermoelectricity is a next-generation solution for efficient waste heat management. Although various thermoelectric materials exist, there is still a lot of scope for advancement, especially in room temperature applications. Recently,…

Materials Science · Physics 2023-08-10 Subrahmanyam Bandaru , Agnieszka M. Jastrzębska , Magdalena Birowska

Two-dimensional (2D) bismuth (Bi) layer, known as bismuthene, exhibits $Z2$ topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band structure of buckled…

Mesoscale and Nanoscale Physics · Physics 2021-05-12 Muhammad Gaffar , Sasfan Arman Wella , Eddwi Hesky Hasdeo

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

Two dimensional (2D) materials have received a surge in research interest due to their exciting range of properties. Here we show that 2D cobalt telluride (Co2Te3), successfully synthesized via liquid-phase exfoliation in an organic…

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

Recently discovered 2M phase of bulk WS$_2$ was observed to exhibit superconductivity with a critical temperature of 8.8 K, the highest reported among superconducting transition metal dichalcogenides. Also predicted to support protected…

Materials Science · Physics 2021-10-12 Nesta Benno Joseph , Awadhesh Narayan

We report on the structure and physical properties of bulk Palladium Tellurium superconductor, which is synthesized via quartz vacuum encapsulation technique at 750 C. The as synthesized compound is crystallized in hexagonal crystal…

Superconductivity · Physics 2015-06-23 Brajesh Tiwari , Reena Goyal , Rajveer Jha , Ambesh Dixit , V. P. S Awana

Topological insulators are frequently also one of the best known thermoelectric materials. It has been recently discovered that in 3D topological insulators each skew dislocation can host a pair of 1D topological states a helical TLL. We…

Strongly Correlated Electrons · Physics 2020-06-03 P. Chudzinski

The thermoelectric response of 80-nm-thick strained HgTe films of a three-dimensional topological insulator (3D TI) has been studied experimentally. An ambipolar thermopower is observed where the Fermi energy moves from conducting to the…

Mesoscale and Nanoscale Physics · Physics 2021-12-14 G. M. Gusev , Z. D. Kvon , A. D. Levin , N. N. Mikhailov

This study investigates the transport properties of a chiral elemental semiconductor tellurium (Te) under magnetic fields and pressure. Application of hydrostatic pressure reduces the resistivity of Te, while its temperature dependence…

Strongly Correlated Electrons · Physics 2020-09-25 Kazuto Akiba , Kaya Kobayashi , Tatsuo C. Kobayashi , Ryo Koezuka , Atsushi Miyake , Jun Gouchi , Yoshiya Uwatoko , Masashi Tokunaga

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

Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcogenides (TMDC) have emerged as promising candidates for…

Materials Science · Physics 2023-05-24 Sathwik Bharadwaj , Ashwin Ramasubramaniam , L. R. Ram-Mohan

Quantum Hall effect (QHE) is a macroscopic manifestation of quantized states which only occurs in confined two-dimensional electron gas (2DEG) systems. Experimentally, QHE is hosted in high mobility 2DEG with large external magnetic field…

Materials Science · Physics 2018-10-17 Gang Qiu , Yixiu Wang , Yifan Nie , Yongping Zheng , Kyeongjae Cho , Wenzhuo Wu , Peide D. Ye