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Ish: A Halide‐Based Perovskite CsGeX<sub>3</sub> (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications

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    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996153 iqtibos
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  2. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Maqola197660 iqtibos
    ABI

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

    S.F. Pugh

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  4. Linear optical properties of solids within the full-potential linearized augmented planewave method

    Claudia Draxl, Jorge O. Sofo

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  5. On the stability of crystal lattices. I

    Max Born

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  6. Theoretical predictions of structure and related properties of intermetallics

    D. G. Pettifor

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

    Koichi Momma, Fujio Izumi

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

    Søren Smidstrup, Daniele Stradi, Jess Wellendorff +7

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  9. QuantumATK: an integrated platform of electronic and atomic-scale modelling tools

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

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

    Maqola20017 iqtibos
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  11. Deformation Potentials in Silicon. I. Uniaxial Strain

    Leonard Kleinman

    Maqola19627 iqtibos
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  12. Heat flow and lattice vibrations in glasses

    David G. Cahill, R. O. Pohl

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

    Jun-ichi Tani, Masanari Takahashi, Hiroyasu Kido

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

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

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  15. 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

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  16. Finite Deformations of an Elastic Solid

    F. D. Murnaghan

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  17. Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology

    Muskan Nabi, Dinesh C. Gupta

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  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

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  19. Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors

    Shakeel Ahmad Khandy, Ishtihadah Islam, Dinesh C. Gupta +2

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  20. 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

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

    Zhimei Sun, Denis Mušić, Rajeev Ahuja +1

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  22. Perovskite photonic sources

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  23. The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

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  24. Halide Perovskite Photovoltaics: Background, Status, and Future Prospects

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  25. Density Functional Theory Analysis of Structural, Electronic, and Optical Properties of Mixed-Halide Orthorhombic Inorganic Perovskites

    Hamid M. Ghaithan, Z.A. Alahmed, Saif M. H. Qaid +1

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