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Ushbu ish iqtibos qilgan ishlar

95 ta ish

Ish: 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

    Maqola200924 iqtibos
    ABI

  2. The Elastic Behaviour of a Crystalline Aggregate

    R. Hill

    Maqola195221 iqtibos
    ABI

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

    S.F. Pugh

    Maqola195421 iqtibos
    ABI

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

    W. Shockley, H. J. Queisser

    Maqola196120 iqtibos
    ABI

  5. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    Maqola201512 iqtibos
    ABI

  6. Hybrid functionals based on a screened Coulomb potential

    Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

    Maqola200310 iqtibos
    ABI

  7. 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

  8. Chemical Structures and Performance of Perovskite Oxides

    M.A. Peña, J.L.G. Fierro

    Sharh maqola20018 iqtibos
    ABI

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

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

    Maqola20017 iqtibos
    ABI

  10. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Paolo Giannozzi, O Andreussi, T Brumme +47

    Maqola20177 iqtibos
    ABI

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

    Orson L. Anderson

    Maqola19636 iqtibos
    ABI

  12. Bonded-atom fragments for describing molecular charge densities

    F. L. Hirshfeld

    Maqola19776 iqtibos
    ABI

  13. Elastic constants versus melting temperature in metals

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

    Maqola19846 iqtibos
    ABI

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

    Rashid Ahmad, Nasir Mehmood

    Maqola20174 iqtibos
    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

    Maqola20224 iqtibos
    ABI

  16. Ueber die Beziehung zwischen den beiden Elasticitätsconstanten isotroper Körper

    W. Voigt

    Maqola18894 iqtibos
    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

    Maqola19784 iqtibos
    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

    Maqola20203 iqtibos
    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

    Maqola20233 iqtibos
    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

    Maqola20223 iqtibos
    ABI

  21. Zur Theorie der spezifischen Wärmen

    P. Debye

    Maqola19123 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

    Viggo Tvergaard, John W. Hutchinson

    Maqola19883 iqtibos
    ABI

  24. Anion order in oxysulfide perovskites: origins and implications

    Ghanshyam Pilania, Ayana Ghosh, Steven Hartman +3

    Maqola20202 iqtibos
    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

    Sharh maqola20242 iqtibos
    ABI