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91 ta ish

Ish: Electronic, structural, mechanical, and piezoelectric properties of bulk NbOX2 (X = Cl, Br, I): A DFT study

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

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  4. On the stability of crystal lattices. I

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

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  7. Elastic constants versus melting temperature in metals

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  8. Quantum‐mechanical condensed matter simulations with CRYSTAL

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  9. DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)

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  10. Progress in high-strain perovskite piezoelectric ceramics

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  11. Piezoelectric and ferroelectric materials and structures for energy harvesting applications

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  13. Advances in piezoelectric halide perovskites for energy harvesting applications

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  14. <scp>BSSE‐corrected</scp> consistent Gaussian basis sets of <scp>triple‐zeta</scp> valence with polarization quality of the fifth period for <scp>solid‐state</scp> calculations

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  15. Berry-phase theory of proper piezoelectric response

    David Vanderbilt

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  19. CRYSTAL23: A Program for Computational Solid State Physics and Chemistry

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  20. Crystal structures and elastic properties of superhard<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Ir</mml:mi><mml:msub><mml:mi mathvariant="normal">N</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Ir</mml:mi><mml:msub><mml:mi mathvariant="normal">N</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>from first principles

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  23. Photovoltaic Solar Cells: A Review

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