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Работы, на которые ссылается эта работа

Работ: 95

Работа: 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

    Статья2009Цитирований: 24
    ABI

  2. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Статья1952Цитирований: 21
    ABI

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

    S.F. Pugh

    Статья1954Цитирований: 21
    ABI

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

    W. Shockley, H. J. Queisser

    Статья1961Цитирований: 20
    ABI

  5. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    Статья2015Цитирований: 12
    ABI

  6. Hybrid functionals based on a screened Coulomb potential

    Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

    Статья2003Цитирований: 10
    ABI

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

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

    Статья2004Цитирований: 8
    ABI

  8. Chemical Structures and Performance of Perovskite Oxides

    M.A. Peña, J.L.G. Fierro

    Обзорная статья2001Цитирований: 8
    ABI

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

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

    Статья2001Цитирований: 7
    ABI

  10. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Paolo Giannozzi, O Andreussi, T Brumme +47

    Статья2017Цитирований: 7
    ABI

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

    Orson L. Anderson

    Статья1963Цитирований: 6
    ABI

  12. Bonded-atom fragments for describing molecular charge densities

    F. L. Hirshfeld

    Статья1977Цитирований: 6
    ABI

  13. Elastic constants versus melting temperature in metals

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

    Статья1984Цитирований: 6
    ABI

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

    Rashid Ahmad, Nasir Mehmood

    Статья2017Цитирований: 4
    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

    Статья2022Цитирований: 4
    ABI

  16. Ueber die Beziehung zwischen den beiden Elasticitätsconstanten isotroper Körper

    W. Voigt

    Статья1889Цитирований: 4
    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

    Статья1978Цитирований: 4
    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

    Статья2020Цитирований: 3
    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

    Статья2023Цитирований: 3
    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

    Статья2022Цитирований: 3
    ABI

  21. Zur Theorie der spezifischen Wärmen

    P. Debye

    Статья1912Цитирований: 3
    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

    Статья2021Цитирований: 3
    ABI

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

    Viggo Tvergaard, John W. Hutchinson

    Статья1988Цитирований: 3
    ABI

  24. Anion order in oxysulfide perovskites: origins and implications

    Ghanshyam Pilania, Ayana Ghosh, Steven Hartman +3

    Статья2020Цитирований: 2
    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

    Обзорная статья2024Цитирований: 2
    ABI