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

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

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 re...

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Main Authors: D. P. Rai, Sandeep, A. Shankar, R. Khenata, A. H. Reshak, C. E. Ekuma, R. K. Thapa, San-Huang Ke
Format: Article
Language:English
Published: AIP Publishing LLC 2017-04-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4982671
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spelling doaj-a159f15b6c1546c6a84f121ad6b63b2f2020-11-24T22:32:14ZengAIP Publishing LLCAIP Advances2158-32262017-04-0174045118045118-810.1063/1.4982671054704ADVElectronic, optical, and thermoelectric properties of Fe2+xV1−xAlD. P. Rai0Sandeep1A. Shankar2R. Khenata3A. H. Reshak4C. E. Ekuma5R. K. Thapa6San-Huang Ke7Department of Physics, Pachhunga University College, Aizawl 796001, IndiaDepartment of Physics, Mizoram University, Aizawl 796009, IndiaDepartment of Physics, University of North Bengal, Darjeeling 734013, IndiaLaboratoire de Physique Quantique de la Matiére et de Modélisation Mathmatique, Universit de Mascara, Mascara 29000, AlgeriaNew Technologies-Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen, Czech RepublicDepartment of Physics, Computational Material Physics Group, University of Port Harcourt, PMB, 51001 Rivers, NigeriaDepartment of Physics, Mizoram University, Aizawl 796009, IndiaMOE Key Laboratory of Microstructured Materials, School of Physics Science and Engineering, Tongji University, 1239 Siping Rd., Shanghai 200092, ChinaWe 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.http://dx.doi.org/10.1063/1.4982671
collection DOAJ
language English
format Article
sources DOAJ
author D. P. Rai
Sandeep
A. Shankar
R. Khenata
A. H. Reshak
C. E. Ekuma
R. K. Thapa
San-Huang Ke
spellingShingle D. P. Rai
Sandeep
A. Shankar
R. Khenata
A. H. Reshak
C. E. Ekuma
R. K. Thapa
San-Huang Ke
Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl
AIP Advances
author_facet D. P. Rai
Sandeep
A. Shankar
R. Khenata
A. H. Reshak
C. E. Ekuma
R. K. Thapa
San-Huang Ke
author_sort D. P. Rai
title Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl
title_short Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl
title_full Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl
title_fullStr Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl
title_full_unstemmed Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl
title_sort electronic, optical, and thermoelectric properties of fe2+xv1−xal
publisher AIP Publishing LLC
series AIP Advances
issn 2158-3226
publishDate 2017-04-01
description 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.
url http://dx.doi.org/10.1063/1.4982671
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AT sandeep electronicopticalandthermoelectricpropertiesoffe2xv1xal
AT ashankar electronicopticalandthermoelectricpropertiesoffe2xv1xal
AT rkhenata electronicopticalandthermoelectricpropertiesoffe2xv1xal
AT ahreshak electronicopticalandthermoelectricpropertiesoffe2xv1xal
AT ceekuma electronicopticalandthermoelectricpropertiesoffe2xv1xal
AT rkthapa electronicopticalandthermoelectricpropertiesoffe2xv1xal
AT sanhuangke electronicopticalandthermoelectricpropertiesoffe2xv1xal
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