Materials properties from first principles

Raimund Podloucky
University of Vienna (Universität Wien)
Institut für Physikalische Chemie, Physical Chemistry

VSC project / type: 70738 / internal

VSC-3 / status: 2015-05-07 - 2020-05-09 / active


  • Failamani F, Podloucky R, Bursik J, Rogl G, Michor H, Muller H, Bauer E, Giester G, Rogl P
    Boron-phil and boron-phob structure units in novel borides Ni
    Dalton transactions (Cambridge, England : 2003) 47, 3303 (2018)

  • Yan X., Chen Xing-Qiu, Michor H., Wolf W., Witusiewicz V. T., Bauer E., Podloucky R., Rogl P.
    Structural, thermodynamic, and electronic properties of Laves-phase NbMn2 from first principles, x-ray diffraction, and calorimetric experiments
    PHYSICAL REVIEW B 97, 125110 (2018)

  • Rogl P. F., Podloucky R., Noel H., Giester G.
    Crystal structure of Th2B2C3 with unique mixed B-C structural units
    ACTA MATERIALIA 144, 484 (2018)

  • Knapp I., Budinska B., Milosavljevic D., Heinrich P., Khmelevskyi S., Moser R., Podloucky R., Prenninger P., Bauer E.
    Impurity band effects on transport and thermoelectric properties of Fe2-xNixVAl
    PHYSICAL REVIEW B 96, 045204 (2017)

  • Schoellhammer Gunther, Herzig Peter, Wolf Walter
    First-principles structure optimization of scandium and lutetium trihydrides

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