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Thermoelectric properties and electronic structure of Cr(Mo,V)Nx thin films studied by synchrotron and lab-based x-ray spectroscopy
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-2948-2942
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0009-0006-4871-8734
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-2696-4372
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-4898-5115
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2023 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 108, no 20, article id 205134Article in journal (Refereed) Published
Abstract [en]

Chromium-based nitrides are used in hard, resilient coatings and show promise for thermoelectric applications due to their combination of structural, thermal, and electronic properties. Here, we investigate the electronic structures and chemical bonding correlated to the thermoelectric properties of epitaxially grown chromium-based multicomponent nitride Cr(Mo,V)Nx thin films. The small amount of N vacancies causes Cr 3d and N 2p states to appear at the Fermi level and reduces the band gap in Cr0.51N0.49. Incorporating holes by alloying of V in N-deficient CrN results in an enhanced thermoelectric power factor with marginal change in the charge transfer of Cr to N compared with Cr0.51N0.49. Further alloying of Mo, isoelectronic to Cr, increases the density of states at the Fermi level due to hybridization of the (Cr, V) 3d and Mo 4d-N 2p states in Cr(Mo,V)Nx. This hybridization and N off-stoichiometry result in more metal-like electrical resistivity and reduction in Seebeck coefficient. The N deficiency in Cr(Mo,V)Nx also depicts a critical role in reduction of the charge transfer from metal to N site compared with Cr0.51N0.49 and Cr0.50V0.03N0.47. In this paper, we envisage ways for enhancing thermoelectric properties through electronic band engineering by alloying and competing effects of N vacancies.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2023. Vol. 108, no 20, article id 205134
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-199216DOI: 10.1103/physrevb.108.205134ISI: 001116619600006OAI: oai:DiVA.org:liu-199216DiVA, id: diva2:1813123
Funder
Linköpings universitet, 2009 00971Knut and Alice Wallenberg Foundation, KAW-2020.0196Swedish Research Council, 2021–03826Swedish Research Council, 2022–00213Swedish Research Council, 2018–07152Swedish Research Council, 2022–06725Swedish Research Council, 2019–00191Swedish Energy Agency, 43606–1Swedish Energy Agency, 51201–1Carl Tryggers foundation , CTS20:272Carl Tryggers foundation , CTS16:303Carl Tryggers foundation , CTS14:310Vinnova, 2018–04969Swedish Research Council Formas, 2019–02496
Note

Funding: Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University; Knut and Alice Wallenberg Foundation; Swedish Research Council (VR); Swedish Energy Agency; Carl Tryggers Foundation [2009 00971]; Swedish Research Council [KAW-2020.0196]; IUVSTA [2021-03826]; Aforsk Foundation [43606-1, 2022-00213]; Olle Enqvist Foundation [51201-1, CTS20:272, CTS16:303]; Swedish Governmental Agency for Innovation Systems (VINNOVA) [CTS14:310, 22-4, 2019-02496]; Formas; Swedish Research Council VR-RFI [2018-07152]; Swedish Foundation for Strategic Research [2022-06725];  [222-0053];  [2018- 04969];  [2019-00191];  [RIF14-0053]

Available from: 2023-11-20 Created: 2023-11-20 Last updated: 2024-03-07

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Chowdhury, SusmitaShu, RuiGreczynski, GrzegorzLe Febvrier, ArnaudEklund, PerMagnuson, Martin

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