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Иш: Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола1996153 иқтибос
    ABI

  2. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Мақола199374 иқтибос
    ABI

  3. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Мақола199664 иқтибос
    ABI

  4. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Мақола197660 иқтибос
    ABI

  5. Projector augmented-wave method

    Peter E. Blöchl

    Мақола199442 иқтибос
    ABI

  6. BoltzTraP. A code for calculating band-structure dependent quantities

    Georg K. H. Madsen, David J. Singh

    Мақола200637 иқтибос
    ABI

  7. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Мақола198127 иқтибос
    ABI

  8. Density-functional exchange-energy approximation with correct asymptotic behavior

    Axel D. Becke

    Мақола198825 иқтибос
    ABI

  9. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Мақола195221 иқтибос
    ABI

  10. Necessary and sufficient elastic stability conditions in various crystal systems

    Félix Mouhat, François‐Xavier Coudert

    Мақола201416 иқтибос
    ABI

  11. Toward reliable density functional methods without adjustable parameters: The PBE0 model

    Carlo Adamo, Vincenzo Barone

    Мақола199915 иқтибос
    ABI

  12. Finite Elastic Strain of Cubic Crystals

    Francis Birch

    Мақола194713 иқтибос
    ABI

  13. On the stability of crystal lattices. I

    Max Born

    Мақола194011 иқтибос
    ABI

  14. Hybrid functionals based on a screened Coulomb potential

    Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

    Мақола200310 иқтибос
    ABI

  15. <i>VESTA</i>: a three-dimensional visualization system for electronic and structural analysis

    Koichi Momma, Fujio Izumi

    Мақола20089 иқтибос
    ABI

  16. Thermoelectric generator (TEG) technologies and applications

    Hussam Jouhara, Alina Żabnieńśka-Góra, Navid Khordehgah +6

    Мақола20219 иқтибос
    ABI

  17. Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle .

    A. Reuss

    Мақола19298 иқтибос
    ABI

  18. GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

    M. A. Blanco, E. Francisco, Vı́ctor Luaña

    Мақола20048 иқтибос
    ABI

  19. Deformation Potentials in Silicon. I. Uniaxial Strain

    Leonard Kleinman

    Мақола19627 иқтибос
    ABI

  20. Heat flow and lattice vibrations in glasses

    David G. Cahill, R. O. Pohl

    Мақола19897 иқтибос
    ABI

  21. Lehrbuch der Kristallphysik

    Woldemar Voigt

    Китоб19667 иқтибос
    ABI

  22. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

    Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski +1

    Мақола19946 иқтибос
    ABI

  23. Lattice dynamics and elastic properties of Mg3As2 and Mg3Sb2 compounds from first-principles calculations

    Jun-ichi Tani, Masanari Takahashi, Hiroyasu Kido

    Мақола20106 иқтибос
    ABI

  24. Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler Fe<sub>2</sub>IrSi alloy

    Lalrinkima Lalrinkima, Chinedu E. Ekuma, Timothy C. Chibueze +4

    Мақола20216 иқтибос
    ABI

  25. Finite Deformations of an Elastic Solid

    F. D. Murnaghan

    Мақола19376 иқтибос
    ABI