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Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Electron-electron coupling in crystals with transition metal ions: the dependence of the exchange-correlation term "+U" on the ion surrounding

2012/05/B/ST3/03095

Keywords:

electron-electron coupling correlations Hubbard U

Descriptors:

  • ST3_5: Physical properties of semiconductors and insulators
  • ST3_11: Mesoscopic physics

Panel:

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

Host institution :

Instytut Fizyki PAN

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Piotr Bogusławski 

Number of co-investigators in the project: 4

Call: OPUS 3 - announced on 2012-03-15

Amount awarded: 258 220 PLN

Project start date (Y-m-d): 2013-02-08

Project end date (Y-m-d): 2015-05-07

Project duration:: 27 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. drukarka laserowa, czarno-biała, druk dwustronny (700 PLN)
  2. laptop (4 000 PLN)
  3. zasilacz UPS do klastra obliczeniowego w IF PAN (6 000 PLN)

Information in the final report

  • Publication in academic press/journals (12)
  1. Electronic structure of ruthenium-doped iron chalcogenides
    Authors:
    M. J. Winiarski, M. Samsel-Czekala and A. Ciechan
    Academic press:
    J. Appl. Phys. (rok: 2014, tom: 116, strony: 223903), Wydawca: AIP Publishing
    Status:
    Published
    DOI:
    10.1063/1.4903957 - link to the publication
  2. Electronic structure of transition metal ions in GaN and AlN: comparing GGA+U with experiment
    Authors:
    T. Zakrzewski and P. Boguslawski
    Academic press:
    J. Alloys Compounds (rok: 2016, tom: 664, strony: 565-579), Wydawca: elsevier
    Status:
    Published
    DOI:
    brak - link to the publication
  3. Transition Metal Ions in Semiconductors: LDA, LDA+U, and Experiment
    Authors:
    T. Zakrzewski and P. Boguslawski
    Academic press:
    Acta Physica Polonica A (rok: 2015, tom: 127, strony: 321-3), Wydawca: IF PAN
    Status:
    Published
    DOI:
    10.12693/APhysPolA.127.321 - link to the publication
  4. Impact of exchange-correlations effects (+U corrections) on the energy levels of Mn and Fe impu-rities in GaN and AlN: a comparison with experiment
    Authors:
    T. Zakrzewski and P. Boguslawski
    Academic press:
    Acta Phys. Polonica A (rok: 2013, tom: 124, strony: 898-9000), Wydawca: Instytut Fizyki Uniwersytetu Jagiellońskego
    Status:
    Published
    DOI:
    10.12693/APhysPolA.124.898 - link to the publication
  5. Magnetic phase transitions and superconductivity in strained FeTe
    Authors:
    A. Ciechan, M. J. Winiarski and M. Samsel-Czekała
    Academic press:
    J. Phys.: Condens. Matter (rok: 2013, tom: 26, strony: 25702), Wydawca: IoP
    Status:
    Published
    DOI:
    10.1088/09538984/26/2/025702 - link to the publication
  6. Fe dopant in ZnO: 2+ versus 3+ valency and ion-carrier s,p−d exchange interaction
    Authors:
    J. Papierska, A. Ciechan, P. Bogusławski, M. Boshta, M. M. Gomaa, E. Chikoidze, Y. Dumont, A. Drabińska, H. Przybylińska, A. Gardias, J. Szczytko, A. Twardowski, M. Tokarczyk, G. Kowalski, B. Witkowski, K. Sawicki, W. Pacuski, M. Nawrocki, and J. Suffczyński
    Academic press:
    Physical Review B (rok: 2016, tom: 94, strony: 224414), Wydawca: APS
    Status:
    Published
    DOI:
    10.1103/PhysRevB.94.224414 - link to the publication
  7. GGA+U study of native point defects in ZnRh2O4
    Authors:
    O. Volnianska and P. Boguslawski
    Academic press:
    J. Phys. D Appl. Phys. (rok: 2014, tom: 47, strony: 465101), Wydawca: IOP Publishing
    Status:
    Published
    DOI:
    10.1088/0022-3727/47/46/465101 - link to the publication
  8. Local and collective magnetism of gallium vacancies in GaN studied by GGA+U approach
    Authors:
    O. Volnianska, P. Bogusławski
    Academic press:
    J. Magnetism Magnetic Materials (rok: 2016, tom: 401, strony: 310-319), Wydawca: IoP
    Status:
    Published
    DOI:
    brak - link to the publication
  9. Magnetism and Superconductivity of S-substituted FeTe
    Authors:
    A. Ciechan, M. J. Winiarski and M. Samsel-Czekala
    Academic press:
    J. Alloys and Compounds (rok: 2014, tom: 630, strony: 100-105), Wydawca: ELSEVIER
    Status:
    Published
    DOI:
    10.1016/j.jallcom.2015.01.024 - link to the publication
  10. Metastability of Mn3+ in ZnO driven by strong d(Mn) intrashell Coulomb repulsion: Experiment and theory
    Authors:
    A. Ciechan, H. Przybylinska, P. Bogusławski, A. Suchocki, A. Grochot, A. Mycielski, P. Skupinski, and K. Grasza
    Academic press:
    Physical Review B (rok: 2016, tom: 94, strony: 165143), Wydawca: APS
    Status:
    Published
    DOI:
    10.1103/PhysRevB.94.165143 - link to the publication
  11. Point defects as a test ground for the Local Density Approximation +U theory: Mn, Fe and V:Ga in GaN
    Authors:
    O. Volnianska, T. Zakrzewski, and P. Boguslawski
    Academic press:
    J. Chem. Phys. (rok: 2014, tom: 141, strony: 114703), Wydawca: AIP Publishing
    Status:
    Published
    DOI:
    10.1063/1.4904979 - link to the publication
  12. Strain effects on electronic structure and superconductivity in the iron telluride
    Authors:
    M.J. Winiarski, M. Samsel-Czekala, A. Ciechan
    Academic press:
    Intermetallics (rok: 2014, tom: 52, strony: 97-100), Wydawca: ELSEVIER
    Status:
    Published
    DOI:
    10.1016/j.intermet.2014.03.018 - link to the publication

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