Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Computer simulations of physical properties of strongly correlated system based on chalcogenide Xn(PY3)m crystals

2016/21/N/ST3/00461

Keywords:

computer simulations semiconductors chalcogenide crystals vacancies DFT Raman Spectroscopy UV-vis spectroscopy

Descriptors:

  • ST3_7: Spintronics
  • ST6_12: Scientific computing, simulation and modelling tools
  • 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):

Tetiana Babuka 

Number of co-investigators in the project: 2

Call: PRELUDIUM 11 - announced on 2016-03-15

Amount awarded: 122 400 PLN

Project start date (Y-m-d): 2017-02-06

Project end date (Y-m-d): 2020-08-05

Project duration:: 42 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.

Equipment purchased [PL]

  1. VASP - program obliczeniowy (18 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. Nature of thermoelectric properties formation in defected Sn2P2S6 chalcogenide crystals
    Authors:
    Tetiana Babuka, Konstantin Glukhov, Anton Kohutych, Yulian Vysochanskii and Malgorzata Makowska-Janusik
    Academic press:
    CrystEngComm (rok: 2020, tom: 22, strony: 2336-2349), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C9CE02017A - link to the publication
  2. Electronic and vibrational properties of pure MnPS3 crystal: Theoretical and experimental investigation
    Authors:
    T.Babuka, M.Makowska-Janusik, A.V.Peschanskii, K.E.Glukhov, S.L.Gnatchenko, Yu.M.Vysochanskii
    Academic press:
    Computational Materials Science (rok: 2020, tom: 177, strony: 109592), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.commatsci.2020.109592 - link to the publication
  3. New insight into strong correlated states realised in a ferroelectric and paraelectric chalcogenide Sn2P2S6 crystal
    Authors:
    T. Babuka, K. Glukhov, Y. Vysochanskii and M. Makowska-Janusik
    Academic press:
    RSC Advances (rok: 2017, tom: 7, strony: 27770–27779), Wydawca: Online only: ISSN 2046-2069
    Status:
    Published
    DOI:
    10.1039/C7RA00682A - link to the publication
  4. Raman study of a magnetic phase transition in the MnPS3 single crystal
    Authors:
    A. V. Peschanskii, T. Ya. Babuka, K. E. Glukhov, M. Makowska-Janusik, S. L. Gnatchenko, and Yu. M. Vysochanskii
    Academic press:
    Low Temp. Phys (rok: 2019, tom: 45, strony: 1082), Wydawca: AIP Publishing
    Status:
    Published
    DOI:
    10.1063/1.5125909 - link to the publication
  5. Structural, electronic, vibration and elastic properties of the layered AgInP2S6 semiconducting crystal – DFT approach
    Authors:
    T. Babuka, K. Glukhov, Yu. Vysochanskii, M. Makowska-Janusik
    Academic press:
    RSC Advances (rok: 2018, tom: 8(13), strony: 6965-6977), Wydawca: Online only: ISSN 2046-2069
    Status:
    Published
    DOI:
    10.1039/C7RA13519J - link to the publication
  6. Layered CuInP2S(Se)6 ferrielectric crystals - a study from the first principles
    Authors:
    T. Babuka, K. Glukhov, Yu. Vysochanskii, M. Makowska-Janusik
    Academic press:
    Phase Transitions (rok: 2019, tom: 92, strony: 440-450), Wydawca: Taylor & Francis Group
    Status:
    Published
    DOI:
    10.1080/01411594.2019.1587439 - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy