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89 ta ish

Ish: Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996196 iqtibos
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198829 iqtibos
    ABI

  4. XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

    S.F. Pugh

    Maqola195425 iqtibos
    ABI

  5. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

    José M. Soler, Emilio Artacho, Julian D. Gale +4

    MaqolaOchiq kirish200220 iqtibos
    ABI

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

    Carlo Adamo, Vincenzo Barone

    Maqola199918 iqtibos
    ABI

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

    Koichi Momma, Fujio Izumi

    Maqola200812 iqtibos
    ABI

  8. On the stability of crystal lattices. I

    Max Born

    Maqola194011 iqtibos
    ABI

  9. First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach

    Søren Smidstrup, Daniele Stradi, Jess Wellendorff +7

    MaqolaOchiq kirish20179 iqtibos
    ABI

  10. Advances in Lead-Free Piezoelectric Materials for Sensors and Actuators

    Elena Aksel, Jacob L. Jones

    Sharh maqolaOchiq kirish20109 iqtibos
    ABI

  11. Theory of polarization of crystalline solids

    R. D. King-Smith, David Vanderbilt

    Maqola19938 iqtibos
    ABI

  12. Heat flow and lattice vibrations in glasses

    David G. Cahill, R. O. Pohl

    MaqolaOchiq kirish19897 iqtibos
    ABI

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

    Jun-ichi Tani, Masanari Takahashi, Hiroyasu Kido

    Maqola20106 iqtibos
    ABI

  14. Nosé–Hoover chains: The canonical ensemble via continuous dynamics

    Glenn Martyna, Michael L. Klein, Mark E. Tuckerman

    Maqola19926 iqtibos
    ABI

  15. 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

  16. 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

  17. Finite Deformations of an Elastic Solid

    F. D. Murnaghan

    Maqola19376 iqtibos
    ABI

  18. Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na<sub>2</sub>SiO<sub>3</sub>) under compressive pressure

    R. Zosiamliana, Lalrinkima Lalrinkima, B. Chettri +3

    MaqolaOchiq kirishGlass properties and applicationsRSC Advances20226 iqtibos
    ABI

  19. Quantum‐mechanical condensed matter simulations with CRYSTAL

    Roberto Dovesi, Alessandro Erba, Roberto Orlando +8

    MaqolaOchiq kirish20186 iqtibos
    ABI

  20. BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations

    Daniel Vilela Oliveira, Joachim Laun, Michael F. Peintinger +1

    Maqola20196 iqtibos
    ABI

  21. Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps

    Tilak Das, Giovanni Di Liberto, Gianfranco Pacchioni

    MaqolaOchiq kirish20225 iqtibos
    ABI

  22. A DFT study of electronic, optical and thermoelectric properties of Ge-halide perovskites CsGeX3 (X=F, Cl and Br)

    Soukaina Bouhmaidi, Adil Marjaoui, Abdelali Talbi +3

    Maqola20225 iqtibos
    ABI

  23. Electrostrictive and Piezoelectric Materials for Actuator Applications

    Dragan Damjanović, Robert E. Newnham

    Maqola19925 iqtibos
    ABI

  24. Piezoelectric Biomaterials for Sensors and Actuators

    Meysam T. Chorsi, Eli Curry, Hamid T. Chorsi +5

    Sharh maqola20185 iqtibos
    ABI

  25. Theoretical investigation of the bonding and elastic properties of nanolayered ternary nitrides

    Zhimei Sun, Denis Mušić, Rajeev Ahuja +1

    Maqola20054 iqtibos
    ABI