Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl

D. P. Rai; Sandeep; A. Shankar; R. Khenata; A. H. Reshak; C. E. Ekuma; R. K. Thapa; San-Huang Ke

doi:10.1063/1.4982671

journal article·2017-04-01Open access

Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl

D. P. Rai, Sandeep, A. Shankar, R. Khenata, A. H. Reshak, C. E. Ekuma, R. K. Thapa, San-Huang Ke

AIP Advances· Volume 7· Issue 4

Publisher page Open full text

Source abstract

Abstract

We report the electronic, optical, and thermoelectric properties of full-Heusler alloy Fe2VAl with Fe antisite doping (Fe2+xV1−xAl) as obtained from the first-principles Tran-Blaha modified Becke-Johnson potential. The results are discussed in relation to the available experimental data and show good agreements for the band gap, magnetic moment, and optical spectra. Exploring our transport data for thermoelectric applicability suggest that Fe2+xV1−xAl is a good candidate with a high figure of merit (ZT) 0.75(0.65) for x = 0.25(0.50) at room temperature.

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Research context

Metals & alloys

OpenAlex topics: Heusler alloys: electronic and magnetic properties · 2D Materials and Applications · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Pachhunga University College 1 Department of Physics, , Aizawl 796001, India

Mizoram University 2 Department of Physics, , Aizawl 796009, India

University of North Bengal 3 Department of Physics, , Darjeeling 734013, India

Universit de Mascara 4 Laboratoire de Physique Quantique de la Matiére et de Modélisation Mathmatique, , Mascara 29000, Algeria

University of West Bohemia 5 New Technologies-Research Centre, , Univerzitni 8, 306 14 Pilsen, Czech Republic

University Malaysia Perlis 6 School of Material Engineering, , 01007 Kangar, Perlis, Malaysia

University of Port Harcourt 7 Department of Physics, Computational Material Physics Group, , PMB, 51001 Rivers, Nigeria

Tongji University 8 MOE Key Laboratory of Microstructured Materials, School of Physics Science and Engineering, , 1239 Siping Rd., Shanghai 200092, China

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