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Greczynski, GrzegorzORCID iD iconorcid.org/0000-0002-4898-5115
Publications (10 of 80) Show all publications
Chowdhury, S., Guerra Yanez, H., Honnali, S. K., Greczynski, G., Persson, P. O., Le Febvrier, A., . . . Eklund, P. (2025). Structural and electronic properties of Sc1-xWxNy thin films on MgO(001). Applied Materials Today, 44, Article ID 102730.
Open this publication in new window or tab >>Structural and electronic properties of Sc1-xWxNy thin films on MgO(001)
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2025 (English)In: Applied Materials Today, ISSN 2352-9407, E-ISSN 2352-9415, Vol. 44, article id 102730Article in journal (Refereed) Published
Abstract [en]

The influence of heavy atom incorporation (in this case, tungsten, W) into scandium nitride is examined to assess its impact on the electronic structure and associated thermoelectric properties. Incorporating W, with its 5d valence electrons, is expected to shift the Fermi level into the conduction band. A solid solution of Sc1−x​Wx​Ny​ system is also expected to form as ScN exhibits the largest unit cell among the early 3d transition metal nitrides. However, phase separation is initiated at x = 0.10 and results in Sc- and W-rich regions occurring through conventional nucleation and growth. High-temperature nitrogen substoichiometry (at ∼800 °C) and formation of secondary phase is governed by inducing N vacancies in the crystal system. The N/W ratio alters the occupancy of the nonbonding t2g states in the valence band and results in phase instability. The Sc1−x​Wx​Ny​ system is found to be less covalent than a ScN reference sample indicating the presence of ionic and metallic bonds as observed through spectroscopic studies. A unique combination of a metal-like Seebeck coefficient with increased electrical resistivity is found for the Sc1−x​Wx​Ny​ system compared to the ScN reference. This study aims to elucidate the structural, microstructural, and electronic properties of the Sc1-xWxNy system and establishing a correlation with thermoelectric properties, through a combined experimental and theoretical approach.

Place, publisher, year, edition, pages
Elsevier, 2025
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-213228 (URN)10.1016/j.apmt.2025.102730 (DOI)001479741100001 ()2-s2.0-105003215262 (Scopus ID)
Note

Funding Agencies|Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University; Knut and Alice Wallenberg foundation through the Wallenberg Academy Fellows program; Swedish Research Council (VR); Swedish Energy Agency; Carl Tryggers Foundation [CTS16:303, CTS14:310]; Aforsk Foundation; Olle Enqvist foundation; Swedish Research council [2022-06725]; Swedish Governmental Agency for Innovation Systems [2018-04969]; Swedish National Infrastructure in Advanced Electron Microscopy [2019-02496]; Formas; Primetzhofer from Uppsala University; Swedish Research Council VR-RFI [019-00191]; Swedish Foundation for Strategic Research [RIF14-0053]; Swedish Foundation for Strategic Research (SSF);  [2009 00971];  [KAW-2020.0196];  [2021-03826];  [43606-1];  [51201-1];  [CTS23:2746];  [CTS20:272];  [22-4];  [222-0053];  [2018-07152];  [2021-00171];  [RIF21-0026]

Available from: 2025-04-24 Created: 2025-04-24 Last updated: 2025-05-14
Shi, Y., Kashiwaya, S., Lu, J., Dahlqvist, M., Sangiovanni, D. G., Rogoz, V., . . . Hultman, L. (2025). Synthesis of Ti4Au3C3 and its derivative trilayer goldene through chemical exfoliation. Science Advances, 11(13)
Open this publication in new window or tab >>Synthesis of Ti4Au3C3 and its derivative trilayer goldene through chemical exfoliation
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2025 (English)In: Science Advances, E-ISSN 2375-2548, Vol. 11, no 13Article in journal (Refereed) Published
Abstract [en]

Achieving large two-dimensional (2D) sheets of any metal is challenging due to their tendency to coalescence or cluster into 3D shapes. Recently, single-atom-thick gold sheets, termed goldene, was reported. Here, we ask if goldene can be extended to include multiple layers. The answer is yes, and trilayer goldene is the magic number, for reasons of electronegativity. Experiments are made to synthesize the atomically laminated phase Ti4Au3C3 through substitutional intercalation of Si layers in Ti4SiC3 for Au. Density functional theory calculations suggest that it is energetically favorable to insert three layers of Au into Ti4SiC3, compared to inserting a monolayer, a bilayer, or more than three layers. Isolated trilayer goldene sheets, ~100 nanometers wide and 6.7 angstroms thick, were obtained by chemically etching the Ti4C3 layers from Ti4Au3C3 templates. Furthermore, trilayer goldene is found in both hcp and fcc forms, where the hcp is ~50 milli–electron volts per atom more stable at room temperature from ab initio molecular dynamic simulations.

Place, publisher, year, edition, pages
American Association for the Advancement of Science (AAAS), 2025
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-212681 (URN)10.1126/sciadv.adt7999 (DOI)001455518300003 ()40153494 (PubMedID)2-s2.0-105001593083 (Scopus ID)
Note

Funding Agencies|Swedish Research Council [2023- 04107, 2021- 04426, VR- 2018- 05973, 2022- 06725, 2021- 00171]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University [SFO- Mat-LiU 2009 00971]; Aforsk Foundation [23- 591, 22- 4]; MIRAI2.0 Joint seed funding; Scandinavia- Japan Sasakawa Foundation; Wallenberg Launchpad (WALP); Olle Engkvist foundation [222- 0053]; Carl Tryggers Stiftelse [CTS 20:150]; Swedish Energy Agency [43606-1]; Carl Tryggers Foundation [CTS23:2746, CTS 20:272, CTS16:303, CTS14:310]; Goran Gustafsson Foundation for Research in Natural Sciences and Medicine; Wallenberg Scholar Grant [2019.0433]; Wallenberg Initiative Materials Science for Sustainability (WISE) - Knut and Alice Wallenberg Foundation

Available from: 2025-03-31 Created: 2025-03-31 Last updated: 2025-04-17
Qu, Y., Gomaa, M. M., Sayed, M. H., Boshta, M., Greczynski, G., Yakimova, R. & Sun, J. W. (2024). A Comparative Study of NiCo2O4, NiO, and Co3O4 Electrocatalysts Synthesized by a Facile Spray Pyrolysis For Electrochemical Water Oxidation. Advanced Materials Interfaces, 11(8), Article ID 2300920.
Open this publication in new window or tab >>A Comparative Study of NiCo2O4, NiO, and Co3O4 Electrocatalysts Synthesized by a Facile Spray Pyrolysis For Electrochemical Water Oxidation
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2024 (English)In: Advanced Materials Interfaces, ISSN 2196-7350, Vol. 11, no 8, article id 2300920Article in journal (Refereed) Published
Abstract [en]

Exploiting low-cost, highly active, and robust oxygen evolution reaction (OER) electrocatalysts based on earth-abundant elements by a simple synthesis approach holds paramount importance for green hydrogen production through water electrolysis. In this work, the NiO, Co3O4 and NiCo2O4 nanoparticle layers with identical surface morphologies are prepared under same deposition conditions by a simple spray pyrolysis method and their OER activities are comparatively investigated. Among all these three electrocatalysts, NiCo2O4 shows the lowest overpotential of 420 mV to drive benchmark current density of 10 mA cm(-2) and the smallest Tafel slope (84.1 mV dec(-1)), which are comparable to the OER performance of the benchmark commercial RuO2 electrocatalyst. The high OER activity of NiCo2O4 is attributed to the synergy effect and the modulation of electronic properties between Co and Ni atoms, which drastically reduces the overpotential required to drive OER activities. Therefore, it is believed that the NiCo2O4 synthesized by this simple method would be a competitive candidate as an industrial electrocatalyst with high-efficiency and low cost for large-scale green hydrogen production via water electrolysis.

Place, publisher, year, edition, pages
WILEY, 2024
Keywords
electrocatalyst; electrolysis of water; NiCo2O4 nanoparticles; oxygen evolution reaction; scalable synthesis
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-199971 (URN)10.1002/admi.202300920 (DOI)001128816400001 ()
Note

Funding Agencies|Swedish Research Council (Vetenskapsradet) [2018-04670, 2020-04400]; Swedish Foundation for International Cooperation in Research and Higher Education (STINT) [CH2016-6722]; Olle Engkvists Stiftelse [220-0222, 221-0259]

Available from: 2024-01-10 Created: 2024-01-10 Last updated: 2024-10-18Bibliographically approved
Shu, R., Zhang, X., Tasnadi, F., Olovsson, W., Gangaprasad Rao, S., Greczynski, G., . . . Eklund, P. (2024). Stoichiometry Effects on the Chemical Ordering and Superconducting Properties in TiZrTaNbNx Refractory High Entropy Nitrides. Annalen der Physik, 534(5), Article ID 2300470.
Open this publication in new window or tab >>Stoichiometry Effects on the Chemical Ordering and Superconducting Properties in TiZrTaNbNx Refractory High Entropy Nitrides
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2024 (English)In: Annalen der Physik, ISSN 0003-3804, E-ISSN 1521-3889, Vol. 534, no 5, article id 2300470Article in journal (Refereed) Published
Abstract [en]

High-entropy materials, an exciting new class of structural materials involvingfive or more elements, are emerging as unexplored ground forsuperconductors. Here, the effects of nitrogen stoichiometry are investigatedon local chemical structure of TiZrNbTa-based thin films by variousX-ray-based techniques. Lattice distortion and short-range order of a set ofTiZrNbTaNxsamples, including bond lengths of different atomic pairs andcoordination numbers of substituting atoms are quantitatively studied. Themaximum superconducting transition temperature Tcis found at 10 K for anear-stoichiometric (TiZrNbTa)N1.08film, which is>8 K measured for ametallic TiZrNbTa film. The underlying electronic structure and chemicalbonding in these high entropy nitrides thus influence the superconductingmacroscopic properties.

Place, publisher, year, edition, pages
Wiley-VCH Verlagsgesellschaft, 2024
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-199850 (URN)10.1002/andp.202300470 (DOI)001130119800001 ()
Note

Funding agencies: the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No. 2009 00971), the VINNOVA Competence Centre FunMat-II (grant no. 2016–05156), the Knut and Alice Wallenberg foundation through the Wallenberg Academy Fellows program (KAW-2020.0196), and the Swedish Research Council under project number 2021–03826. Financial support for the operation of the accelerator laboratory in Uppsala by VR-RFI (Contract No. 2017-00646_9) and the Swedish Foundation for Strategic Research (SSF, Contract No. RIF14-0053), the Swedish Energy Research (Grant No.43606-1) and the CarlTryggers Foundation (CTS23:2746, CTS20:272, CTS16:303, CTS14:310).The authors acknowledge the MAX IV Laboratory for beamtime on the BALDER beamline for proposal 20200219. Research conducted at MAX IV, a Swedish national user facility, was supported by the Swedish Research council under contract 2018–07152, the Swedish Governmental Agency for Innovation Systems (VINNOVA) under contract 2018–04969, and Formas under contract 2019–02496. 

Available from: 2023-12-28 Created: 2023-12-28 Last updated: 2024-10-10Bibliographically approved
Kashiwaya, S., Shi, Y., Lu, J., Sangiovanni, D. G., Greczynski, G., Magnuson, M., . . . Hultman, L. (2024). Synthesis of goldene comprising single-atom layer gold. Nature Synthesis, 3(6), 744-751
Open this publication in new window or tab >>Synthesis of goldene comprising single-atom layer gold
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2024 (English)In: Nature Synthesis, E-ISSN 2731-0582, Vol. 3, no 6, p. 744-751Article in journal (Refereed) Published
Abstract [en]

The synthesis of monolayer gold has so far been limited to free-standingseveral-atoms-thick layers, or monolayers confned on or inside templates.Here we report the exfoliation of single-atom-thick gold achieved throughwet-chemically etching away Ti3C2 from nanolaminated Ti3AuC2, initiallyformed by substituting Si in Ti3SiC2 with Au. Ti3SiC2 is a renown MAX phase,where M is a transition metal, A is a group A element, and X is C or N. Ourdeveloped synthetic route is by a facile, scalable and hydrofuoric acid-freemethod. The two-dimensional layers are termed goldene. Goldene layerswith roughly 9% lattice contraction compared to bulk gold are observedby electron microscopy. While ab initio molecular dynamics simulationsshow that two-dimensional goldene is inherently stable, experiments showsome curling and agglomeration, which can be mitigated by surfactants.X-ray photoelectron spectroscopy reveals an Au 4f binding energy increaseof 0.88 eV. Prospects for preparing goldene from other non-van der WaalsAu-intercalated phases, including developing etching schemes,are presented.

Place, publisher, year, edition, pages
Nature Publishing Group, 2024
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-202582 (URN)10.1038/s44160-024-00518-4 (DOI)001203366300001 ()2-s2.0-85190684420 (Scopus ID)
Note

Funding agencies: the Swedish Research Council project grant nos. 2017-03909 (L.H.), 2023-04107 (L.H.) and 2021-04426 (D.G.S.), Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University grant no. SFO-Mat-LiU 2009 00971, Wallenberg Scholar Program grant no. KAW 2019.0290 (L.H.), the Swedish Research Council through grant agreement nos. VR-2018-05973 and 2022-06725, MIRAI2.0, Åforsk Foundation grant no. 22-4, the Olle Engkvist foundation grant no. 222-0053, Carl Tryggers Stiftelse contract no. CTS 20:150, Swedish Energy Agency (grant no. 43606-1), Carl Tryggers Foundation (grant nos. CTS23:2746, CTS 20:272, CTS16:303, CTS14:310)and Göran Gustafsson Foundation for Research in Natural Sciences and Medicines.

Available from: 2024-04-17 Created: 2024-04-17 Last updated: 2025-02-06Bibliographically approved
Hsu, T.-W., Greczynski, G., Boyd, R., Kolozsvári, S., Polcik, P. & Odén, M. (2023). Dense and hard TiWC protective coatings grown with tungsten ion irradiation using WC-HiPIMS/TiC-DCMS co-sputtering technique without external heating. Applied Surface Science, 618, Article ID 156639.
Open this publication in new window or tab >>Dense and hard TiWC protective coatings grown with tungsten ion irradiation using WC-HiPIMS/TiC-DCMS co-sputtering technique without external heating
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2023 (English)In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 618, article id 156639Article in journal (Refereed) Published
Abstract [en]

Titanium tungsten carbide (TiWC) coatings are deposited by a combined high-power impulse and dc magnetron co-sputtering (HiPIMS/DCMS) technique. No external heating is applied during deposition phase, instead, the thermally driven adatom mobility is substituted by heavy ion irradiation. DCMS sources equipped with titanium carbide targets provide constant neutral fluxes to establish the predominant coating structures, whereas tungsten carbide target in HiPIMS mode serves as the source of heavy metal-ions. Substrate bias of −60 V is synchronized to W+ ion-rich time domains of HiPIMS pulses to minimize the contribution from working gas ions. The influence of W+ ion flux intensity, controlled by varying peak target current density (JT), on film properties is investigated. X-ray photoelectron spectroscopy reveals the presence of over stoichiometric carbon forming an amorphous phase, the amount of which can be fine-tuned by varying JT. Changes in film composition as a function of JT are explained based on the in-situ ion mass spectroscopy analyses. Dense TiWC coatings by hybrid process exhibit hardness higher than 30 GPa, which are comparable to TiWC films deposited by DCMS with dc substrate bias and external heating. The relative energy consumption in the hybrid process is reduced by 77 % as compared to high-temperature DCMS processing.

Place, publisher, year, edition, pages
Elsevier, 2023
National Category
Condensed Matter Physics Nano Technology
Identifiers
urn:nbn:se:liu:diva-191779 (URN)10.1016/j.apsusc.2023.156639 (DOI)000935360500001 ()
Funder
Vinnova, 2016-05156Swedish Research Council, 2017-03813Swedish Research Council, 2017-06701
Note

Funding: VINNOVA (FunMat-II project ) [2016-05156]; Swedish Research Council [2017-03813, 2017-06701]; Swedish government strategic research area grant AFM - SFO MatLiU [2009- 00971]

Available from: 2023-02-14 Created: 2023-02-14 Last updated: 2023-03-13Bibliographically approved
Pshyk, O. V., Li, X., Petrov, I., Sangiovanni, D. G., Palisaitis, J., Hultman, L. & Greczynski, G. (2023). Discovery of Guinier-Preston zone hardening in refractory nitride ceramics. Acta Materialia, 255, Article ID 119105.
Open this publication in new window or tab >>Discovery of Guinier-Preston zone hardening in refractory nitride ceramics
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2023 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 255, article id 119105Article in journal (Refereed) Published
Abstract [en]

Traditional age hardening mechanisms in refractory ceramics consist of precipitation of fine particles. These processes are vital for widespread wear-resistant coating applications. Here, we report novel Guinier-Preston zone hardening, previously only known to operate in soft light-metal alloys, taking place in refractory ceramics like multicomponent nitrides. The added superhardening, discovered in thin films of Ti-Al-W-N upon high temperature annealing, comes from the formation of atomic-plane-thick W disks populating {111} planes of the cubic matrix, as observed by atomically resolved high resolution scanning transmission electron microscopy and corroborated by ab initio calculations and molecular dynamics simulations. Guinier-Preston zone hardening concurrent with spinodal decomposition is projected to exist in a range of other ceramic solid solutions and thus provides a new approach for the development of advanced materials with outstanding mechanical properties and higher operational temperature range for the future demanding applications.

Place, publisher, year, edition, pages
Elsevier, 2023
Keywords
Guinier-Preston zone, TiAlN, Ceramics, Age hardening, Spinodal decomposition
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-196410 (URN)10.1016/j.actamat.2023.119105 (DOI)001025995100001 ()
Note

Funding: Swedish Research Council VR [2018-03957, 2021-03652, 2021-04426]; Swedish Energy Agency [51201-1]; Knut and Alice Wallenberg Foundation [KAW2019.0290, CTS 20:150]; Carl Tryggers Stiftelse [21:1272, 2017-00646_9]; Swedish Research Council VR-RFI [VR-2018-0597]; Swedish Foundation for Strategic Research [2021-00171]; Swedish Research Council [RIF21-0026]; Swedish National Infrastructure in Advanced Electron Microscopy [22-4, 2022-03071]; Aforsk Foundation; Competence Center Functional Nanoscale Materials (FunMat-II) VINNOVA;  [KAW2016.0358];  [RIF14-0053]

Available from: 2023-08-01 Created: 2023-08-01 Last updated: 2023-08-31
Hsu, T.-W., Greczynski, G., Christensen, B. H., Almtoft, K. P., Boyd, R., Kolozsvári, S., . . . Odén, M. (2023). Effects of substrate rotation during AlSi-HiPIMS/Ti-DCMS co-sputtering growth of TiAlSiN coatings on phase content, microstructure, and mechanical properties. Surface & Coatings Technology, 453, Article ID 128986.
Open this publication in new window or tab >>Effects of substrate rotation during AlSi-HiPIMS/Ti-DCMS co-sputtering growth of TiAlSiN coatings on phase content, microstructure, and mechanical properties
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2023 (English)In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 453, article id 128986Article in journal (Refereed) Published
Abstract [en]

A combined high-power impulse and dc magnetron co-sputtering (HiPIMS/DCMS) technique is used to deposit Ti0.6Al0.32Si0.08N films with 1-fold substrate table rotation. Layers are grown at two different substrate-target separations, two different rotational speeds, and with different values of substrate bias. The aim is to study the role of (1) overlap between ion and neutral fluxes generated from HiPIMS and DCMS sources, respectively, and (2) the subplantation range of low-mass ions. Results from X-ray diffractometry highlight the necessity of flux intermixing in the formation of the metastable B1-structured TiAlSiN solid solutions. All films grown at short target-to-substrate distance contain the hexagonal AlN phase, as there is essentially no overlap between HiPIMS and DCMS fluxes, thus the Al+ and Si+ subplantation is very limited. Under conditions of high flux intermixing corresponding to larger target-to-substrate distance, no w-AlN forms irrespective of rotational speed (1 or 3 rpm) and bias amplitude (120 or 480 V), indicating that the role of Al+/Si+ and Ti flux overlap is crucial for the phase formation during film growth by HiPIMS/DCMS with substrate rotation. This conclusion is further supported by the fact that the reduction of the bilayer thickness with increasing the target-to-substrate distance (hence increasing flux overlap) is larger for films grown with higher amplitude of the substrate bias, indicative of more efficient Al+/Si+ subplantation into the c-TiN phase. Single-phase films with the hardness close to that of layers grown with stationary substrate table can be achieved, however, at the expense of higher compressive stress.

Place, publisher, year, edition, pages
Elsevier, 2023
Keywords
Thin films, TiAlSiN, Magnetron sputtering, HiPIMS, Al+ and Si+ irradiation, Substrate rotation
National Category
Nano Technology Materials Engineering Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-191778 (URN)10.1016/j.surfcoat.2022.128986 (DOI)000923286500001 ()
Funder
Vinnova, 2016-05156Swedish Research Council, 2017-03813Swedish Research Council, 2017-06701
Note

Funding: VINNOVA (FunMat-II project) [2016-05156]; Swedish Research Council [2017-03813, 2017-06701]; Swedish government strategic research area grant AFM - SFO MatLiU [2009-00971]

Available from: 2023-02-14 Created: 2023-02-14 Last updated: 2023-03-16
Eriksson, F., Ghafoor, N., Broekhuijsen, S., Greczynski, G., Schell, N. & Birch, J. (2023). Morphology control in Ni/Ti multilayer neutron mirrors by ion-assisted interface engineering and B4C incorporation. Optical Materials Express, 13(5), 1424-1439
Open this publication in new window or tab >>Morphology control in Ni/Ti multilayer neutron mirrors by ion-assisted interface engineering and B4C incorporation
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2023 (English)In: Optical Materials Express, E-ISSN 2159-3930, Vol. 13, no 5, p. 1424-1439Article in journal (Refereed) Published
Abstract [en]

The optical contrast and minimum layer thickness of Ni/Ti broadband neutron multilayer supermirrors is usually hampered by an interface width, typically 0.7 nm, caused by nanocrystallites, interdiffusion, and/or intermixing. We explore the elimination of nanocrystallites in combination with interface smoothening by modulation of ion assistance during magnetron sputter deposition of 0.8 to 6.4 nm thick Ni and Ti layers. The amorphization is achieved through incorporation of natural B4C where B and C preferably bond to Ti. A two-stage substrate bias was applied to each layer; -30 V for the initial 1 nm followed by -100 V for the remaining part, generating multilayer mirrors with interface widths of 0.40-0.45 nm. The results predict that high performance supermirrors with m-values as high as 10 are feasible by using 11B isotope-enriched B4C combined with temporal control of the ion assistance.

Place, publisher, year, edition, pages
Optica Publishing Group, 2023
Keywords
Ion beam analysis; Ion beams; Magnetic fields; Optical components; X ray diffraction; X ray mirrors
National Category
Subatomic Physics
Identifiers
urn:nbn:se:liu:diva-193550 (URN)10.1364/OME.476713 (DOI)000994009100005 ()
Note

Funding: Stiftelsen för Strategisk Forskning; Vetenskapsrådet.

Available from: 2023-05-05 Created: 2023-05-05 Last updated: 2025-02-14Bibliographically approved
Chowdhury, S., Hjort, V., Shu, R., Greczynski, G., Le Febvrier, A., Eklund, P. & Magnuson, M. (2023). Thermoelectric properties and electronic structure of Cr(Mo,V)Nx thin films studied by synchrotron and lab-based x-ray spectroscopy. Physical Review B, 108(20), Article ID 205134.
Open this publication in new window or tab >>Thermoelectric properties and electronic structure of Cr(Mo,V)Nx thin films studied by synchrotron and lab-based x-ray spectroscopy
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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
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-199216 (URN)10.1103/physrevb.108.205134 (DOI)001116619600006 ()
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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