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Иш: Sulfur substitution in BaZrO3 perovskite: A first-principles study of bandgap tuning for photovoltaic applications

  1. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

    Paolo Giannozzi, Stefano Baroni, Nicola Bonini +30

    Мақола200924 иқтибос
    ABI

  2. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Мақола195221 иқтибос
    ABI

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

    S.F. Pugh

    Мақола195421 иқтибос
    ABI

  4. Detailed Balance Limit of Efficiency of<i>p-n</i>Junction Solar Cells

    W. Shockley, H. J. Queisser

    Мақола196120 иқтибос
    ABI

  5. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    Мақола201512 иқтибос
    ABI

  6. Hybrid functionals based on a screened Coulomb potential

    Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

    Мақола200310 иқтибос
    ABI

  7. 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

  8. Chemical Structures and Performance of Perovskite Oxides

    M.A. Peña, J.L.G. Fierro

    Шарҳ мақола20018 иқтибос
    ABI

  9. Phonons and related crystal properties from density-functional perturbation theory

    Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso +1

    Мақола20017 иқтибос
    ABI

  10. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Paolo Giannozzi, O Andreussi, T Brumme +47

    Мақола20177 иқтибос
    ABI

  11. A simplified method for calculating the debye temperature from elastic constants

    Orson L. Anderson

    Мақола19636 иқтибос
    ABI

  12. Bonded-atom fragments for describing molecular charge densities

    F. L. Hirshfeld

    Мақола19776 иқтибос
    ABI

  13. Elastic constants versus melting temperature in metals

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

    Мақола19846 иқтибос
    ABI

  14. A Density Functional Theory Investigations of Half-Heusler Compounds RhVZ (Z = P, As, Sb)

    Rashid Ahmad, Nasir Mehmood

    Мақола20174 иқтибос
    ABI

  15. First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPd3B4O12 (B = Ti, V) perovskites

    Mirza H. K. Rubel, Md.A. Hossain, M. Khalid Hossain +7

    Мақола20224 иқтибос
    ABI

  16. Ueber die Beziehung zwischen den beiden Elasticitätsconstanten isotroper Körper

    W. Voigt

    Мақола18894 иқтибос
    ABI

  17. CH<sub>3</sub>NH<sub>3</sub>PbX<sub>3</sub>, ein Pb(II)-System mit kubischer Perowskitstruktur / CH<sub>3</sub>NH<sub>3</sub>PbX<sub>3</sub>, a Pb(II)-System with Cubic Perovskite Structure

    Dieter Weber

    Мақола19784 иқтибос
    ABI

  18. How the strain effects decreases the band gap energy in the CsPbX<sub>3</sub> perovskite compounds?

    Houssain Zitouni, N. Tahiri, O. El Bounagui +1

    Мақола20203 иқтибос
    ABI

  19. First-principles study on structural, electronic and optical properties of halide double perovskite Cs<sub>2</sub>AgBX<sub>6</sub> (B = In, Sb; X = F, Cl, Br, I)

    Chol‐Jun Yu, Il-Chol Ri, Hak-Myong Ri +3

    Мақола20233 иқтибос
    ABI

  20. Tuning band gap and enhancing optical functions of AGeF3 (A = K, Rb) under pressure for improved optoelectronic applications

    Md. Safin Alam, Md Saiduzzaman, Arpon Biswas +3

    Мақола20223 иқтибос
    ABI

  21. Zur Theorie der spezifischen Wärmen

    P. Debye

    Мақола19123 иқтибос
    ABI

  22. Ab initio predictions of structure and physical properties of the Zr2GaC and Hf2GaC MAX phases under pressure

    Muhammad Waqas Qureshi, Xinxin Ma, Guangze Tang +1

    Мақола20213 иқтибос
    ABI

  23. Microcracking in Ceramics Induced by Thermal Expansion or Elastic Anisotropy

    Viggo Tvergaard, John W. Hutchinson

    Мақола19883 иқтибос
    ABI

  24. Anion order in oxysulfide perovskites: origins and implications

    Ghanshyam Pilania, Ayana Ghosh, Steven Hartman +3

    Мақола20202 иқтибос
    ABI

  25. Lead-Free Double Perovskites: A Review of the Structural, Optoelectronic, Mechanical, and Thermoelectric Properties Derived from First-Principles Calculations, and Materials Design Applicable for Pedagogical Purposes

    David O. Obada, Shittu B. Akinpelu, Simeon A. Abolade +4

    Шарҳ мақола20242 иқтибос
    ABI