Zmiana języka

Projects search

Influence of substitution of rare earth and transition metals on the electronic, magnetic, ferroelectric and optical properties of multiferroics- ab-initio calculations

2011/01/B/ST3/02212

Keywords

Descriptors

  • ST3_7: Półprzewodniki
  • ST3_11: Magnetyzm
  • ST3_18: Przejścia fazowe, równowaga faz

Panel

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

Host institution

Instytut Fizyki Molekularnej PAN

Voivodeship: wielkopolskie

Other projects carried out by the institution »

Principal investigator (from the host institution)

prof. Andrzej Stanisław Jezierski

Number of co-investigators in the project: 7

Call

OPUS 1 – announced on 2011-03-15

Amount awarded
780 000 PLN
Project start date
2011-12-01
Project end date
2015-11-30
Project duration
48 months (the same as in the proposal)
Project status
Project settled

Equipment purchased [PL]

  1. Drukarka Xerox Phaser.
  2. Licencja Program PAKIET CRYSTAL09,MPP,CRYSCOR.
  3. Licencja na Program ADF na 3 lata.
  4. Oprogramowanie ( Licencja Programu VASP 5.3). Cost: 8 500 PLN
  5. Oprogramowanie ( Wien2k, FPLO, ASW) (3 pcs). Cost: 6 000 PLN
  6. Oprogramowanie (Licencja Programu Phonon 5.11 dla Linuxa). Cost: 11 000 PLN
  7. Serwer obliczeniowy ( Actina Solar). Cost: 237 500 PLN
  8. Serwer obliczeniowy ( Intel I7). Cost: 7 000 PLN

Information in the final report

Publication in academic press/journals (20)

  1. Electronic structure and optical properties of Ce1-xLaxPtIn (0<x<1) compounds by SPR- KKR-CPA and FPLO-CPA methods

    Authors:
    A.Jezierski, A. Szytuła
    Academic press:
    Acta Phys. Polon A (year: 2016, volume: 129, pages: 109-112), Publisher: Institute of Physics PAS
    Status:
    Published
    DOI:
    10.12693/APhysPolA.129.109 – link to the publication

  2. Electronic Structure of the Cubic Perovskites BiMO3 ( M=Al,Ga,In,Sc)

    Authors:
    J.Kaczkowski, A.Jezierski
    Academic press:
    Acta Physica Polonica A (year: 2013, volume: 124, pages: 852-854), Publisher: IF PAN Warszawa
    Status:
    Published
    DOI:
    10.12693/APhysPolA.124.852 – link to the publication

  3. First principles calculations of electronic structure and magnetic properties

    Authors:
    M. Werwinski, A. Szajek, J.A. Morkowski
    Academic press:
    Computational Metarial Science (year: 2014, volume: 81, pages: 402-409), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.commatsi.2013.07.049 – link to the publication

  4. Electronic structure and thermodynamic properties of platinum-lead oxides PbPt2O4 and Pb2PtO4 by ab-initio methods

    Authors:
    A.Jezierski, J. Kaczkowski
    Academic press:
    Phase Transitions (year: 2016, volume: 0, pages: 0), Publisher: Taylor &Francis Group
    Status:
    Published
    DOI:
    10.1080/01411594.2016.1146953 – link to the publication

  5. Ab-initio study of electronic structure and thermodynamic properties of aurates BaAu2O4 and SrAu2O4

    Authors:
    A.Jezierski, J. Kaczkowski
    Academic press:
    Solid State Communications (year: 2016, volume: 229, pages: 46310), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ssc.2015.12.010 – link to the publication

  6. Ab initio study of pressure-induced phase transition, band gaps and X-ray photoemission valence band spectra of YVO4

    Authors:
    M. Werwiński, J. Kaczkowski, P. Leśniak, W.L. Malinowski, A. Szajek, A. Szczeszak, S. Lis
    Academic press:
    Comp. Mat. Science (year: 2016, volume: 117, pages: 98-102), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.commatsci.2016.01.038 – link to the publication

  7. Electronic Structure and Magnetic Properties of La1-xCexPb3 and La1-xPrxPb3 Alloys

    Authors:
    A.Jezierski, J. Kaczkowski,T. Cichorek
    Academic press:
    Acta Physica Polonica A (year: 2014, volume: 125, pages: 111-114), Publisher: IF PAN Warszawa
    Status:
    Published
    DOI:
    10.12693/APhysPolA.125.111 – link to the publication

  8. Electronic structure of the heavy fermion superconductor Ce2PdIn8: Experiment and calculations

    Authors:
    M. Werwiński, A.Szajek, A.Ślebarski, D. Kaczorowski
    Academic press:
    J. Alloys and Compounds (year: 2015, volume: 647, pages: 605-611), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jallcom.2015.05.143 – link to the publication

  9. Electronic structure, thermodynamic properties and hydrogenation of LaPtIn and CePtIn compounds by ab-initio methods

    Authors:
    A.Jezierski, A. Szytuła
    Academic press:
    J. Solid State Chemistry (year: 2016, volume: 234, pages: 48-54), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jssc.2015.11.003 – link to the publication

  10. First-principles study of structural, electronic, and ferroelectric properties of rare-earth-doped BiFeO3

    Authors:
    M. Pugaczowa-Michalska, J. Kaczkowski
    Academic press:
    J. Mater. Sci (year: 2015, volume: 50, pages: 6227-6235), Publisher: Springer
    Status:
    Published
    DOI:
    10.1007/s10853-015-9183-x – link to the publication

  11. Electronic Structure of Zn3V2O8 and Mg3V2O8

    Authors:
    J. Kaczkowski, A.Jezierski
    Academic press:
    Ferroelectrics (year: 2014, volume: 461, pages: 92-98), Publisher: Taylor Francis
    Status:
    Published
    DOI:
    10.1080/00150193.2014.889996 – link to the publication

  12. Electronic structure and lattice dynamics of orthorhombic BiGaO3

    Authors:
    J. Kaczkowski
    Academic press:
    J. Alloys and Compounds (year: 2014, volume: 613, pages: 175-180), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.jallcom.2014.06.025 – link to the publication

  13. Electronic Structure and Magnetic Properties of (Co1-xTMx)3V2O8 ( TM=Mn,Mg and Zn) Compounds

    Authors:
    A.Jezierski, J. Kaczkowski, R. Szymczak, H. Szymczak
    Academic press:
    Ferroelectrics (year: 2014, volume: 461, pages: 76-84), Publisher: Taylor Francis
    Status:
    Published
    DOI:
    10.1080/00150193.2014.889976 – link to the publication

  14. Electronic and Magnetic Properties of BiFeO3: Gd3+

    Authors:
    M. Pugaczowa-Michalska, J. Kaczkowski, A. Jezierski
    Academic press:
    Ferroelectrics (year: 2014, volume: 461, pages: 85-91), Publisher: Taylor Francis
    Status:
    Published
    DOI:
    10.1080/00150193.2014.889977 – link to the publication

  15. Semiempirical and DFT computations of the influence of Tb(III) dopant on unit cell dimensions of cerium (III) fluoride

    Authors:
    A. Shyichuk, M. Runowski, S. Lis, J. Kaczkowski, A.Jezierski
    Academic press:
    Computational Chemistry (year: 2015, volume: 36, pages: 193-199), Publisher: Wiley Online Library
    Status:
    Published
    DOI:
    10.1002/jcc.23789 – link to the publication

  16. Electronic structure of BiFeO3 in different crystal phases

    Authors:
    J. Kaczkowski, M. Pugaczowa-Michalska, A.Jezierski
    Academic press:
    Acta Phys. Polon. A (year: 2015, volume: 127, pages: 266-268), Publisher: Instytut Fizyki PAN, Warszawa
    Status:
    Published
    DOI:
    10.12693/APhysPolA.127.266 – link to the publication

  17. Electronic structure and thermodynamic properties of Cu3V2O8 compound

    Authors:
    A.Jezierski, J.Kaczkowski
    Academic press:
    Phase Transitions (year: 2015, volume: 88, pages: 970-978), Publisher: Taylor&Francis
    Status:
    Published
    DOI:
    10.1080/01411594.2015.1007056 – link to the publication

  18. Bonding analysis of BiFeO3 substituted by Gd3+

    Authors:
    M. Pugaczowa-Michalska, J. Kaczkowski
    Academic press:
    Acta Phys. Polon. A (year: 2015, volume: 127, pages: 362-364), Publisher: Instytut Fizyki PAN, Warszawa
    Status:
    Published
    DOI:
    10.12693/APhys.PolA127.362 – link to the publication

  19. Electronic structure and thermodynamic properties of RNi5Sn (R=La,Ce,Pr,Nd) compounds

    Authors:
    A.Jezierski, J.Kaczkowski, A.Szytuła
    Academic press:
    Acta Phys. Polon.A (year: 2015, volume: 127, pages: 257-259), Publisher: Instytut Fizyki PAN Warszawa
    Status:
    Published
    DOI:
    10.12693/APhysPolA.127.257 – link to the publication

  20. Electronic structure and lattice dynamics of rhombohedral BiAlO3 from first-principles

    Authors:
    J. Kaczkowski
    Status:
    Accepted for publication

Articles in post-conference publications (15)

  1. First-principle study of high-pressure structural phase transitions of BiAlO3 and BiGaO3

    Authors:
    J. Kaczkowski
    Conference:
    E-MRS Fall Meeting (year: 2015, pages: 0), Publisher: Warsaw University of Technology
    Date:
    conference 15-18 Septemper
    Status:
    Published

  2. Band structure, magnetic and thermodynamic properties of RNi5Sn (R=La, Ce, Nd and Pr) compounds

    Authors:
    A, Jezierski, J. Kaczkowski, A. Szytuła
    Conference:
    Physics of Magnetism 2014 (year: 2014, pages: 91), Publisher: Institute of Molecular Physics, PAS
    Date:
    conference 23-27 June
    Status:
    Published

  3. Electronic structure and thermodynamic properties of platinum-lead oxide Pb2PtO4 and PbPt2O4

    Authors:
    A.Jezierski, J. Kaczkowski
    Conference:
    E-MRS Fall Meeting 2015 (year: 2015, pages: 195), Publisher: Warsaw University of Technology
    Date:
    conference 15-18 September
    Status:
    Published

  4. Electronic structure investigations of YVO4 under pressure

    Authors:
    M.Werwiński, W.L. Malinowski, P. Lesniak, A. Szczeszak, S.Lis, A. Szajek
    Conference:
    E-MRS Fall Meeting 2015 (year: 2015, pages: 327), Publisher: Warsaw University of Technology
    Date:
    conference 15-18 September
    Status:
    Published

  5. Electronic Structure and Magnetic Properties of (Co1-xTMx)3V2O6 , TM=Ni,Mn,Mg,Zn Systems

    Authors:
    A.Jezierski, J. Kaczkowski, R. Szymczak, H. Szymczak
    Conference:
    13 th International Meeting on Ferroelectricity (year: 2013, pages: 0241 Abstract), Publisher: The Organizing Committee of the IMF-13
    Date:
    conference 2-6 September 2013
    Status:
    Published

  6. Electronic structure of BiFeO3 in different crystal phases

    Authors:
    J. KAczkowski, M. Pugaczowa-Michalska, A. Jezierski
    Conference:
    Physics of Magnetism 2014 (year: 2014, pages: 94), Publisher: Institute of Molecular Physics, PAS
    Date:
    conference 23-27 June
    Status:
    Published

  7. Electronic structure and thermodynamic properties of Cu3v2o8 compound in the different phases

    Authors:
    A.Jezierski, J. Kaczkowski
    Conference:
    E-MRS Fall Meeting Warsaw (year: 2014, pages: 328), Publisher: Warsaw University of Technology
    Date:
    conference 15-19 September
    Status:
    Published

  8. Electronic Structure of Zn3V2O8 and Mg3V2O8

    Authors:
    J. Kaczkowski, A.Jezierski
    Conference:
    13 International Meeting on Ferroelectricity (year: 2013, pages: 0113 Abstract), Publisher: The Organizing Committee of the IMF-13
    Date:
    conference 2-6 September 2013
    Status:
    Published

  9. Electronic and Magnetic Properties of BiFeO3 Substituted by Gd

    Authors:
    M. Pugaczowa-Michalska, J. Kaczkowski, A. Jezierski
    Conference:
    13 th International Meeting on Ferroelectricity (year: 2013, pages: 0282-0283 Abstract), Publisher: The Organizing Committee of the IMF-13
    Date:
    conference 2-6 September 2013 Kraków
    Status:
    Published

  10. Electronic and magnetic properties of low and high temperature phase of gadolinium orthoborate GdBO3

    Authors:
    A. Szajek, M. Werwiński, A. Szczeszak, S. LIs
    Conference:
    Physics of Magnetism 2014 (year: 2014, pages: 153), Publisher: Institute of Molecular Physics, PAS
    Date:
    conference 23-27 June
    Status:
    Published

  11. Electronic structure investigations of several orthovanadates

    Authors:
    W.L.Malinowski,P.Leśniak,M. Werwiński,A. Szczeszak, S. Lis, A. Szajek
    Conference:
    Physics of Magnetism 2014 (year: 2014, pages: 152), Publisher: Institute of Molecular Physics, PAS
    Date:
    conference 23-27 June
    Status:
    Published

  12. Bonding analysis BiFeO3 substituted by Gd3+

    Authors:
    M. Pugaczowa-Michalska, J. KAczkowski
    Conference:
    Physics of Magnetism 2014 (year: 2014, pages: 120), Publisher: Institute of Molecular Physics, PAS
    Date:
    conference 23-27 June
    Status:
    Published

  13. Electronic and magnetic properties of GdPO4- Ab-initio calculations

    Authors:
    P. Leśniak, M.L. Malinowski.M. Werwiński, A. Szczeszak, T. Grzyb, S. LIs, B. Idzikowski, A. Szajek
    Conference:
    Physics of Magnetism 2014 (year: 2014, pages: 152), Publisher: Institute of Molecular Physics, PAS
    Date:
    conference 23-27 June
    Status:
    Published

  14. Bonding analysis BiFeO3 substituted by Gd3+

    Authors:
    M. Pugaczowa-Michalska, J. Kaczkowski
    Conference:
    E-MRS Fall Meeting (year: 2014, pages: 338), Publisher: Warsaw University of Technology
    Date:
    conference 15-19 September
    Status:
    Published

  15. Electronic structure of BiFeO3 in different crystal phases

    Authors:
    J. Kaczkowski, M.Pugaczowa-Michalska, A.Jezierski
    Conference:
    E-MRS Fall Meeting (year: 2014, pages: 329), Publisher: Warsaw University of Technology
    Date:
    conference 15-19 September
    Status:
    Published

« New search

Graphic design and implementation: Jakub Piotrowski