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Theoretical and experimental determination of work function of HfIrxBy compounds. / Lozanov, Victor V.; Nikiforov, Yaroslav A.; Golosov, Mikhail A. et al.

In: Applied Surface Science, Vol. 716, 164629, 30.01.2026.

Research output: Contribution to journal › Article › peer-review

Harvard

Lozanov, VV, Nikiforov, YA, Golosov, MA, Utkin, AV, Golyashov, VA, Kistanov, AA, Tereshchenko, OE & Baklanova, NI 2026, 'Theoretical and experimental determination of work function of HfIrxBy compounds', Applied Surface Science, vol. 716, 164629. https://doi.org/10.1016/j.apsusc.2025.164629

APA

Lozanov, V. V., Nikiforov, Y. A., Golosov, M. A., Utkin, A. V., Golyashov, V. A., Kistanov, A. A., Tereshchenko, O. E., & Baklanova, N. I. (2026). Theoretical and experimental determination of work function of HfIrxBy compounds. Applied Surface Science, 716, [164629]. https://doi.org/10.1016/j.apsusc.2025.164629

Vancouver

Lozanov VV, Nikiforov YA, Golosov MA, Utkin AV, Golyashov VA, Kistanov AA et al. Theoretical and experimental determination of work function of HfIrxBy compounds. Applied Surface Science. 2026 Jan 30;716:164629. doi: 10.1016/j.apsusc.2025.164629

Author

Lozanov, Victor V. ; Nikiforov, Yaroslav A. ; Golosov, Mikhail A. et al. / Theoretical and experimental determination of work function of HfIrxBy compounds. In: Applied Surface Science. 2026 ; Vol. 716.

BibTeX

@article{8bad99dfc4e746398306b956bee2d38f,
title = "Theoretical and experimental determination of work function of HfIrxBy compounds",
abstract = "The electronic properties and charge states of atoms in four hafnium-based compounds, with general formulae HfIrxBy, namely HfIr3, Hf2Ir5B2, HfIr3Bx, and HfB2, have been studied using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS) and calculations based on density functional theory (DFT). It was stated that Hf atoms have a partial positive charge, whereas Ir and B atoms have a partial negative charge in these compounds. Both theoretical and experimental analyses of the electronic structure near the Fermi level showed that all compounds exhibit metallic behavior. The experimental and theoretical work function of the HfIrxBy compounds was determined to lie in the range 4–5 eV.",
keywords = "DFT calculations, Hafnium boride, Iridium intermetallics, Work function, X-ray photoelectron spectroscopy",
author = "Lozanov, {Victor V.} and Nikiforov, {Yaroslav A.} and Golosov, {Mikhail A.} and Utkin, {Aleksei V.} and Golyashov, {Vladimir A.} and Kistanov, {Andrey A.} and Tereshchenko, {Oleg E.} and Baklanova, {Natalya I.}",
note = "Ministry of Science and Higher Education of the Russian Federation (No. 121032500062-4, No. 075-03-2024-123/1). SRF SKIF Boreskov Institute of Catalysis (FWUR-2024-0040).",
year = "2026",
month = jan,
day = "30",
doi = "10.1016/j.apsusc.2025.164629",
language = "English",
volume = "716",
journal = "Applied Surface Science",
issn = "0169-4332",
publisher = "Elsevier Science Publishing Company, Inc.",

}

RIS

TY - JOUR

T1 - Theoretical and experimental determination of work function of HfIrxBy compounds

AU - Lozanov, Victor V.

AU - Nikiforov, Yaroslav A.

AU - Golosov, Mikhail A.

AU - Utkin, Aleksei V.

AU - Golyashov, Vladimir A.

AU - Kistanov, Andrey A.

AU - Tereshchenko, Oleg E.

AU - Baklanova, Natalya I.

N1 - Ministry of Science and Higher Education of the Russian Federation (No. 121032500062-4, No. 075-03-2024-123/1). SRF SKIF Boreskov Institute of Catalysis (FWUR-2024-0040).

PY - 2026/1/30

Y1 - 2026/1/30

N2 - The electronic properties and charge states of atoms in four hafnium-based compounds, with general formulae HfIrxBy, namely HfIr3, Hf2Ir5B2, HfIr3Bx, and HfB2, have been studied using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS) and calculations based on density functional theory (DFT). It was stated that Hf atoms have a partial positive charge, whereas Ir and B atoms have a partial negative charge in these compounds. Both theoretical and experimental analyses of the electronic structure near the Fermi level showed that all compounds exhibit metallic behavior. The experimental and theoretical work function of the HfIrxBy compounds was determined to lie in the range 4–5 eV.

AB - The electronic properties and charge states of atoms in four hafnium-based compounds, with general formulae HfIrxBy, namely HfIr3, Hf2Ir5B2, HfIr3Bx, and HfB2, have been studied using X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS) and calculations based on density functional theory (DFT). It was stated that Hf atoms have a partial positive charge, whereas Ir and B atoms have a partial negative charge in these compounds. Both theoretical and experimental analyses of the electronic structure near the Fermi level showed that all compounds exhibit metallic behavior. The experimental and theoretical work function of the HfIrxBy compounds was determined to lie in the range 4–5 eV.

KW - DFT calculations

KW - Hafnium boride

KW - Iridium intermetallics

KW - Work function

KW - X-ray photoelectron spectroscopy

UR - https://www.scopus.com/pages/publications/105016461777

UR - https://www.mendeley.com/catalogue/154ec38e-529e-3290-a440-6b6e45be525e/

U2 - 10.1016/j.apsusc.2025.164629

DO - 10.1016/j.apsusc.2025.164629

M3 - Article

VL - 716

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

M1 - 164629

ER -

ID: 69837199