Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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Theoretical investigation of physical properties of chalcopyrite semiconductors for solar cell applications

2018/29/N/ST3/02901

Keywords:

Crystal semiconductor chalcopyrite solar cell computer simulation DFT band structure optical properties absorption spectra solid solution surface

Descriptors:

  • ST6_12: Scientific computing, simulation and modelling tools
  • ST3_7: Spintronics
  • ST3_5: Physical properties of semiconductors and insulators

Panel:

ST3 - Condensed matter physics: structure, electronic properties, fluids, nanosciences, biological physics

Host institution :

Uniwersytet Humanistyczno-Przyrodniczy im. Jana Długosza w Częstochowie, Wydział Nauk Ścisłych, Przyrodniczych i Technicznych

woj. śląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Myron Rudysh 

Number of co-investigators in the project: 3

Call: PRELUDIUM 15 - announced on 2018-03-15

Amount awarded: 136 500 PLN

Project start date (Y-m-d): 2019-01-31

Project end date (Y-m-d): 2023-01-30

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Information in the final report

  • Publication in academic press/journals (15)
  • Articles in post-conference publications (18)
  • Book publications / chapters in book publications (1)
  1. AgGaTe2 - the thermoelectric and solar cell material: structure, electronic, optical, elastic and vibrational features
    Authors:
    M.Ya. Rudysh, M. Piasecki, G.L. Myronchuk, P.A. Shchepanskyi, V.Yo. Stadnyk, O.R. Onufriv, M.G. Brik
    Academic press:
    Infrared Physics and Technology (rok: 2020, tom: 111, strony: 103476), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.infrared.2020.103476 - link to the publication
  2. Structure, electronic, optical and elastic properties of (NH4)2BeF4 crystal in paraelectric phase
    Authors:
    M.Ya. Rudysh, A.O. Fedorchuk, V.Yo. Stadnyk, P.A. Shchepanskyi, R.S. Brezvin, B.I. Horon, O.Yu. Khyzhun, O.M. Gorina
    Academic press:
    Current Applied Physics (rok: 2023, tom: 45, strony: 76-85), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cap.2022.11.005 - link to the publication
  3. Band Structure Calculation and Optical Properties of Ag3AsS3 Crystals
    Authors:
    M.Ya. Rudysh, O.V. Smitiukh, G.L. Myronchuk, S.M. Ponedelnyk O.V. Marchuk
    Academic press:
    Physics and Chemistry of Solid State (rok: 2023, tom: 24, strony: 17-22), Wydawca: Vasyl Stefanyk Precarpathian National University
    Status:
    Published
    DOI:
    10.15330/pcss.24.1.17-22 - link to the publication
  4. Influence of Mn2+ doping on refractive and electronic properties of β-LiNH4SO4 crystals
    Authors:
    R.S. Brezvin, M. Piasecki, O.Ya. Kostetskyi, P.A. Shchepanskyi, V.Yo. Stadnyk, O.R. Onufriv, M.Ya. Rudysh
    Academic press:
    Physica B: Condensed Matter (rok: 2023, tom: 648, strony: 414426), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.physb.2022.414426 - link to the publication
  5. Structure, refractive and electronic properties of K2SO4:Cu2+ (3%) crystals
    Authors:
    R.B. Matviiv, M.Ya. Rudysh, V.Yo. Stadnyk, A.O. Fedorchuk, P.A. Shchepanskyi, R.S. Brezvin, O.Y. Khyzhun
    Academic press:
    Current Applied Physics (rok: 2021, tom: 21, strony: 80-88), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cap.2020.09.015 - link to the publication
  6. Electronic Structure, Optical, and Elastic Properties of AgGaS2 Crystal: Theoretical Study
    Authors:
    M. Ya. Rudysh, N. Y. Ftomyn, P. A. Shchepanskyi, G. L. Myronchuk, A. I. Popov, N. Lemée, V. Y. Stadnyk, M. G. Brik, M. Piasecki
    Academic press:
    Advanced Theory and Simulations (rok: 2022, tom: 5, strony: 2200247), Wydawca: Wiley-VCH
    Status:
    Published
    DOI:
    10.1002/adts.202200247 - link to the publication
  7. Аnisotropy of elastic and acoustic properties of AgGaTe2 crystals
    Authors:
    M. Rudysh, G. Myronchuk, O. Rudysh
    Academic press:
    Physics and Educational Technology (rok: 2022, tom: 2, strony: 70-78), Wydawca: Lesya Ukrainka National University
    Status:
    Published
    DOI:
    10.32782/pet-2022-1-9 - link to the publication
  8. Effect of uniaxial stress on the infrared spectra of (NH4)2BeF4 crystal
    Authors:
    B. Horon, M. Rudysh, V. Stadnyk, R. Brezvin, P. Shchepanskyi, І. Matvijishyn
    Academic press:
    Visnyk of the Lviv University. Series Physics (rok: 2022, tom: 59, strony: 53-60), Wydawca: Ivan Franko National University of Lviv
    Status:
    Published
    DOI:
    10.30970/vph.59.2022.53 - link to the publication
  9. First-principles analysis of physical properties anisotropy for the Ag2SiS3 chalcogenide semiconductor
    Authors:
    M. Ya. Rudysh, P.A. Shchepanskyi, A.O. Fedorchuk, M.G. Brik, C.-G. Ma, G.L. Myronchuk, M. Piasecki
    Academic press:
    Journal of Alloys and Compounds (rok: 2020, tom: 826, strony: 154232), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jallcom.2020.154232 - link to the publication
  10. Calculation of the vibrational spectra of AgGaS2 crystal with chalcopyrite structure
    Authors:
    M.Ya. Rudysh, A.I. Kashuba, P.A. Shchepanskyi, R.Yu. Petrus, V.Yo. Stadnyk, M. Piasecki
    Academic press:
    Journal of Physical Study (rok: 2021, tom: 25, strony: 3704), Wydawca: Ivan Franko National University of Lviv
    Status:
    Published
    DOI:
    10.30970/jps.25.3704 - link to the publication
  11. Electronic structure, optical and elastic properties of AgAlS2 crystal under hydrostatic pressure
    Authors:
    M. Ya. Rudysh
    Academic press:
    Materials Science in Semiconductor Processing (rok: 2022, tom: 148, strony: 106814), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.mssp.2022.106814 - link to the publication
  12. Impact of anionic system modification on the desired properties for CuGa(S1-xSex)2 solid solutions
    Authors:
    M.Ya. Rudysh, P.A. Shchepanskyi, A.O. Fedorchuk, M.G. Brik, V.Yo. Stadnyk, G.L. Myronchuk, E.A. Kotomin, M. Piasecki
    Academic press:
    Computational Materials Science (rok: 2021, tom: 196, strony: 110553), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.commatsci.2021.110553 - link to the publication
  13. Optical and electronic parameters of Rb2SO4 crystals
    Authors:
    M. Ya Rudysh, I.A. Pryshko, P.A. Shchepanskyi, V. Yo Stadnyk, R.S. Brezvin, Z.O. Kogut
    Academic press:
    Optik (rok: 2022, tom: 269, strony: 169875), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ijleo.2022.169875 - link to the publication
  14. Study of elastic and acoustic characteristics of AgAlTe2 crystal
    Authors:
    М.Ya. Rudysh
    Academic press:
    Visnyk of Lviv University. Physics Series (rok: 2023, tom: 60, strony: 45368), Wydawca: Ivan Franko National University of Lviv
    Status:
    Published
    DOI:
    10.30970/vph.60.2023.3 - link to the publication
  15. Vibrational, thermodynamic and acoustic properties of AgAlS2 crystal
    Authors:
    M.Ya. Rudysh, P.A. Shchepanskyi, G.L. Myronchuk, M. Piasecki, O.S. Martyniuk
    Academic press:
    Physica B: Condensed Matter. (rok: 2023, tom: 654, strony: 414731), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.physb.2023.414731 - link to the publication
  1. Electronic structure and properties of Ag3SbS3 crystal
    Authors:
    M. Rudysh, G. Myronchuk, O. Marchuk
    Conference:
    International Conference of Students and Young Scientists in Theoretical and Experimental Physics HEUREKA-2022 (rok: 2022, ), Wydawca: Ivan Franko National University of Lviv
    Data:
    konferencja October 18-20
    Status:
    Published
  2. Infrared spectra of (NH4)2BeF4 crystals
    Authors:
    B. Horon, M.Rudysh, V. Stadnyk, P. Shchepanskyi
    Conference:
    Materials of VІІ All-Ukrainian scientific and practical conference of higher education graduates and young scientists Physics and chemistry of the solid state. Status, achievements and prospects " (rok: 2022, ), Wydawca: IBB LNTU
    Data:
    konferencja 21-22 October
    Status:
    Published
  3. Peculearities of electronic structure and properties of Pb4Ga4Ge(S,Se)12 crystals
    Authors:
    G.L. Myronchuk, O. Nyhmatullina, M.Ya. Rudysh, O.Y. Khyzhun, H. K. Bellagra, Y.M. Kogut, L.V. Piskach, M. Piasecki
    Conference:
    International Conference of Students and Young Scientists in Theoretical and Experimental Physics HEUREKA-2022 (rok: 2022, ), Wydawca: Ivan Franko National University of Lviv
    Data:
    konferencja October 18-20
    Status:
    Published
  4. Structure and properties of AgAlS2 crystal: DFT study
    Authors:
    M.Ya. Rudysh, A.O. Fedorchuk, G.L. Myronchuk, V.Yo. Stadnyk, R.S. Brezvin, P.A. Shchepanskyi
    Conference:
    International Conference of Students and Young Scientists in Theoretical and Experimental Physics HEUREKA-2022 (rok: 2022, ), Wydawca: Ivan Franko National University of Lviv
    Data:
    konferencja October 18-20
    Status:
    Published
  5. Ab initio study of electronic, optical, elastic, and vibrational properties of AgAlS2 crystal
    Authors:
    M.Ya. Rudysh, G.L. Myronchuk, M. Piasecki, V.Yo. Stadnyk, R.S. Brezvin, P.A. Shchepanskyi
    Conference:
    XI International Conference Relaxed, Nonlinear and Acoustic Optical Processes and Materials RNAOPM-2022 (rok: 2022, ), Wydawca: Vezha Druk
    Data:
    konferencja June 01-05
    Status:
    Published
  6. Application of DFT + U approach to electronic structure study of AgInSe2 chalcopyrite crystal
    Authors:
    М.Ya. Rudysh, G.L. Myronchuk, M. Piasecki, M.G. Brik
    Conference:
    Materials of VІІ All-Ukrainian scientific and practical conference of higher education graduates and young scientists Physics and chemistry of the solid state. Status, achievements and prospects " (rok: 2022, ), Wydawca: IBB LNTU
    Data:
    konferencja 21-22 October
    Status:
    Published
  7. Changing the physical properties of CuGa(S1-xSex)2 by changing the composition
    Authors:
    M.Ya. Rudysh, G.L. Myronchuk, А.О. Fedorchuk, M.G. Brik, M. Piasecki
    Conference:
    10th International Conference Relaxed, Nonlinear and Acoustic Optical Processes and Materials RNAOPM 2020" (rok: 2020, ), Wydawca: Vezha-Druk
    Data:
    konferencja 25-29 Czerwca
    Status:
    Published
  8. Elastic properties and anisotropy of I-III-VI2 chalcopyrite crystals
    Authors:
    M. Rudysh
    Conference:
    International Conference of Students and Young Scientists in Theoretical and Experimental Physics "HEUREKA-2021" (rok: 2021, ), Wydawca: Ivan Franko National University of Lviv
    Data:
    konferencja 18-20 May
    Status:
    Published
  9. Peculiarities of the dynamical properties in AgAlS2 chalcopyrite crystals
    Authors:
    M. Rudysh, G. Myronchuk, O. Khyzhun
    Conference:
    International seminar "Properties of ferroelectric and superionic system" (rok: 2021, ), Wydawca: Uzhhorod National University
    Data:
    konferencja 26-27 October
    Status:
    Published
  10. Hydrostatic pressure influence on structure and properties of AgAlS2 crystal
    Authors:
    M.Ya. Rudysh, A. Popov, M. Piasecki, M. Brik, G.L. Myronchuk
    Conference:
    13th Workshop on Current Problems in Physics (rok: 2021, ), Wydawca: Ivan Franko National University of Lviv
    Data:
    konferencja 25-27 October
    Status:
    Published
  11. Modelling of vibrational properties of AgGaS2 crystal
    Authors:
    M.Ya. Rudysh
    Conference:
    III Internationai lnternet conference for young researchers and students "Topical Issues of Fundamental and Applied Studies" (rok: 2021, ), Wydawca: Vezha-Druk
    Data:
    konferencja 12-13 April
    Status:
    Published
  12. Refractive indices change in Rb2SO4 crystals
    Authors:
    I. Pryshko, M. Rudysh, V. Stadnyk, P. Shchepanskyi
    Conference:
    Materials of VІІ All-Ukrainian scientific and practical conference of higher education graduates and young scientists Physics and chemistry of the solid state. Status, achievements and prospects " (rok: 2022, ), Wydawca: IBB LNTU
    Data:
    konferencja 21-22 October
    Status:
    Published
  13. Simulation of the vibrational properties of CuAlS2 crystals
    Authors:
    M.Ya. Rudysh, G.L. Myronchuk
    Conference:
    Fourth Intemational Conference "Actual problems of fundamental science"- APFS'202 (rok: 2021, ), Wydawca: Vezha-Druk
    Data:
    konferencja 01-05 June
    Status:
    Published
  14. Influence of composition modification on the properties for CuGa(S1-xSex)2 solid solution
    Authors:
    M.Ya. Rudysh, G.L. Myronchuk, A.O. Fedorchuk
    Conference:
    XVII International Scientific Conference "Electronics and Applied Physics" (rok: 2021, ), Wydawca: Taras Shevchenko National University of Kyiv
    Data:
    konferencja 19-23 October
    Status:
    Published
  15. Investigation of electronic and elastic properties of AgGaTe2 chalcopyritec rystals: DFT study
    Authors:
    M.Ya. Rudysh, M. Piasecki, M.G. Brik
    Conference:
    III International internet conference for young researchers and students "Topical Issues of Fundamental and Applied Studies" (rok: 2021, ), Wydawca: Vezha-Druk
    Data:
    konferencja 12-13 April
    Status:
    Published
  16. Position of electronic d-levels of I-III-VI2 group crystals
    Authors:
    M.Ya. Rudysh, O.Y. Khyzhun, A.O. Fedorchuk, P.A. Shchepansky, V.Yo. Stadnyk, M.G. Brik, M. Piasecki
    Conference:
    Fourth International Conference "Actual problems of fundamental science"- APFS'2021 (rok: 2021, ), Wydawca: Vezha-Druk
    Data:
    konferencja 01-05-June
    Status:
    Published
  17. Calculation of NLO properties of AgGaS2 crystal
    Authors:
    М.Ya. Rudysh, N.Y. Ftomyn, G.L. Myronchuk, A.O. Fedorchuk, V.Yo. Stadnyk, P.A. Shchepanskyi, R.S. Brezvin
    Conference:
    Materials of VІІ All-Ukrainian scientific and practical conference of higher education graduates and young scientists Physics and chemistry of the solid state. Status, achievements and prospects " (rok: 2022, ), Wydawca: IBB LNTU
    Data:
    konferencja 21-22 October
    Status:
    Published
  18. Electronic structure, optical, and elastic properties of AgAlS2 crystal at high pressure phase
    Authors:
    M.Ya. Rudysh, M. Piasecki, А.O. Fedorchuk, G.L. Myronchuk, V.Yo. Stadnyk, R.S. Brezvin, P.A. Shchepanskyi
    Conference:
    XI International seminar Properties of ferroelectric and superionic systems" (rok: 2022, ), Wydawca: Uzhhorod National University
    Data:
    konferencja 45593
    Status:
    Published
  1. Band Structure and Refractive Parameters of Crystals With Isotropic Point
    Authors:
    М. Ya. Rudysh, P. А. Shchepanskyi, V. Yo. Stadnyk, R. S. Brezvin
    Book:
    Band Structure and Refractive Parameters of Crystals With Isotropic Point (rok: 2022, tom: -, strony: 264), Wydawca: Ivan Franko LNU
    Status:
    Published

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