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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

    Maqola1996153 iqtibos
    ABI

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

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199664 iqtibos
    ABI

  4. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197660 iqtibos
    ABI

  5. Projector augmented-wave method

    Peter E. Blöchl

    Maqola199442 iqtibos
    ABI

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

    Georg K. H. Madsen, David J. Singh

    Maqola200637 iqtibos
    ABI

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

    Michele Parrinello, A. Rahman

    Maqola198127 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198825 iqtibos
    ABI

  9. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Maqola195221 iqtibos
    ABI

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

    Félix Mouhat, François‐Xavier Coudert

    Maqola201416 iqtibos
    ABI

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

    Carlo Adamo, Vincenzo Barone

    Maqola199915 iqtibos
    ABI

  12. Finite Elastic Strain of Cubic Crystals

    Francis Birch

    Maqola194713 iqtibos
    ABI

  13. On the stability of crystal lattices. I

    Max Born

    Maqola194011 iqtibos
    ABI

  14. Hybrid functionals based on a screened Coulomb potential

    Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

    Maqola200310 iqtibos
    ABI

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

    Koichi Momma, Fujio Izumi

    Maqola20089 iqtibos
    ABI

  16. Thermoelectric generator (TEG) technologies and applications

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

    Maqola20219 iqtibos
    ABI

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

    A. Reuss

    Maqola19298 iqtibos
    ABI

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

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

    Maqola20048 iqtibos
    ABI

  19. Deformation Potentials in Silicon. I. Uniaxial Strain

    Leonard Kleinman

    Maqola19627 iqtibos
    ABI

  20. Heat flow and lattice vibrations in glasses

    David G. Cahill, R. O. Pohl

    Maqola19897 iqtibos
    ABI

  21. Lehrbuch der Kristallphysik

    Woldemar Voigt

    Kitob19667 iqtibos
    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

    Maqola19946 iqtibos
    ABI

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

    Jun-ichi Tani, Masanari Takahashi, Hiroyasu Kido

    Maqola20106 iqtibos
    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

    Maqola20216 iqtibos
    ABI

  25. Finite Deformations of an Elastic Solid

    F. D. Murnaghan

    Maqola19376 iqtibos
    ABI