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Recently, layered copper chalcogenides Cu2X family (X=S, Se, Te) has attracted tremendous research interests due to their high thermoelectric (TE) performance, which is partly due to the superionic behavior of mobile Cu ions, making these…

The waste heat management becomes very important with increasing energy demand and limited fossil resources. Here, we demonstrate thermoelectric performance of allotropic TeSe2. Based on the first-principle calculations, we confirm the…

Mesoscale and Nanoscale Physics · Physics 2020-12-08 Munish Sharma

Transition metal-based quaternary chalcogenides have gathered immense attention for various renewable energy applications including thermoelectrics (TE). While low-symmetry and complex structure help to achieve low thermal conductivity, the…

Materials Science · Physics 2024-01-15 Himanshu Sharma , Bhawna Sahni , Tanusri Saha-Dasgupta , Aftab Alam

We report the electronic structure, electric and thermal transport properties of Ru$_{1-x}$Ir$_{x}$Se$_2$ ($x \leq 0.2$). RuSe$_2$ is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe$_2$ exceeds…

Strongly Correlated Electrons · Physics 2016-04-07 Kefeng Wang , Aifeng Wang , A. Tomic , Limin Wang , A. M. Milinda Abeykoon , E. Dooryhee , S. J. L. Billinge , C. Petrovic

Superionic conductors offer unique advantages for novel technological devices in various fields, such as energy storage and neuromorphic computing. Above 414 K, Cu2Se turns into a well-known superionic conductor via a phase transition, and…

Transport properties of Cu-based chalcopyrite materials are presented using the full potential linear augmented plane wave method and Boltzmann Semi-classical theory. All the studied compounds appear to be direct band gap semiconductors…

Materials Science · Physics 2015-10-02 Vijay Kumar Gudelli , V. Kanchana , G. Vaitheeswaran

Electronic and transport properties of CuGaTe$_2$, a hole-doped ternary copper based chalcopyrite type semiconductor, are studied using calculations within the Density Functional Theory and solving the Boltzmann transport equation within…

Materials Science · Physics 2014-01-08 Vijay Kumar Gudelli , V. Kanchana , G. Vaitheeswaran , A. Svane , N. E. Christensen

Thermoelectric (TE) conversion technology, capable of transforming heat into electricity, is critical for sustainable energy solutions. Many promising TE materials contain rare or toxic elements, so the development of cost-effective and…

Computational Physics · Physics 2024-03-15 Xin Jin , Qiling Ou , Haoran Wei , Xianyong Ding , Fangyang Zhan , Rui Wang , Xiaolong Yang , Xuewei Lv , Peng Yu

The electronic and transport properties of CuInTe2 chalcopyrite are investigated using density functional calculations combined with Boltzmann theory. The band gap predicted from hybrid functional is 0.92 eV, which agrees well with…

Materials Science · Physics 2016-01-06 J. Wei , H. J. Liu , L. Cheng , J. Zhang , J. H. Liang , P. H. Jiang , D. D. Fan , J. Shi

Thermoelectric (TE) materials are among very few sustainable yet feasible energy solutions of present time. This huge promise of energy harvesting is contingent on identifying/designing materials having higher efficiency than presently…

Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…

Materials Science · Physics 2022-05-10 Enamul Haque , Claudio Cazorla , M. Anwar Hossain

The bottleneck in modern thermoelectric power generation and cooling is the low energy conversion efficiency of thermoelectric materials. The detrimental effects of lattice phonons on performance can be mitigated, but achieving a high…

We present an infrared spectroscopy study of ZrTe$_5$, which confirms a recent theoretical proposal that this material exhibits a temperature-driven topological quantum phase transition from a weak to a strong topological insulating state…

Materials Science · Physics 2018-11-05 B. Xu , L. X. Zhao , P. Marsik , E. Sheveleva , F. Lyzwa , Y. M. Dai , G. F. Chen , X. G. Qiu , C. Bernhard

Thermoelectric (TE) materials seamlessly convert thermal into electrical energy and vice versa, making them promising for applications such as power generation or cooling. Although historically the TE effect was first discovered in metals,…

Thermoelectric (TE) technology enables direct heat-to-electricity conversion and is gaining attention as a clean, fuel-saving, and carbon-neutral solution for industrial, automotive, and marine applications. Despite nearly a century of…

Materials Science · Physics 2025-12-04 Nirma Kumari , Jaywan Chung , Seunghyun Oh , Jeongin Jang , Jongho Park , Ji Hui Son , SuDong Park , Byungki Ryu

With the growing demand for sustainable and decentralized energy solutions, thermoelectric energy harvesting has emerged as a promising technology for directly converting waste heat into electricity through solid state, environmentally…

The topological materials have attracted much attention recently. While three-dimensional topological insulators are becoming abundant, two-dimensional topological insulators remain rare, particularly in natural materials. ZrTe5 has host a…

Cu-based argyrodites have gained much attention as a new class of thermoelectric materials for energy harvesting. However, the phase transition occurring in these materials and low energy conversion performance limited their broad…

As thermoelectric generators can convert waste heat into electricity, they play an important role in energy harvesting. The metal chalcogenide AgBiSe2 is one of the high-performance thermoelectric materials with low lattice thermal…

High-resolution time- and angle-resolved photoemission measurements were made on FeSe superconductors. With ultrafast photoexcitation, two critical excitation fluences that correspond to two ultrafast electronic phase transitions were found…

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