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Ish: 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

    Maqola1996196 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199399 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199679 iqtibos
    ABI

  4. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197675 iqtibos
    ABI

  5. Projector augmented-wave method

    Peter E. Blöchl

    Maqola199449 iqtibos
    ABI

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

    Georg K. H. Madsen, David J. Singh

    MaqolaOchiq kirish200642 iqtibos
    ABI

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

    Michele Parrinello, A. Rahman

    Maqola198131 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198829 iqtibos
    ABI

  9. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Maqola195223 iqtibos
    ABI

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

    Félix Mouhat, François‐Xavier Coudert

    MaqolaOchiq kirish201419 iqtibos
    ABI

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

    Carlo Adamo, Vincenzo Barone

    Maqola199918 iqtibos
    ABI

  12. Finite Elastic Strain of Cubic Crystals

    Francis Birch

    Maqola194715 iqtibos
    ABI

  13. Hybrid functionals based on a screened Coulomb potential

    Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

    Maqola200312 iqtibos
    ABI

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

    Koichi Momma, Fujio Izumi

    Maqola200812 iqtibos
    ABI

  15. On the stability of crystal lattices. I

    Max Born

    Maqola194011 iqtibos
    ABI

  16. 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

    Maqola199410 iqtibos
    ABI

  17. Thermoelectric generator (TEG) technologies and applications

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

    MaqolaOchiq kirish202110 iqtibos
    ABI

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

    A. Reuss

    Maqola192910 iqtibos
    ABI

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

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

    Maqola20049 iqtibos
    ABI

  20. Deformation Potentials in Silicon. I. Uniaxial Strain

    Leonard Kleinman

    Maqola19628 iqtibos
    ABI

  21. Heat flow and lattice vibrations in glasses

    David G. Cahill, R. O. Pohl

    MaqolaOchiq kirish19897 iqtibos
    ABI

  22. Elastic constants versus melting temperature in metals

    M. E. Fine, L.D. Brown, H.L. Marcus

    Maqola19847 iqtibos
    ABI

  23. Lehrbuch der Kristallphysik

    Woldemar Voigt

    Kitob19667 iqtibos
    ABI

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

    Jun-ichi Tani, Masanari Takahashi, Hiroyasu Kido

    Maqola20106 iqtibos
    ABI

  25. Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors

    Shakeel Ahmad Khandy, Ishtihadah Islam, Dinesh C. Gupta +2

    MaqolaOchiq kirish20196 iqtibos
    ABI