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89 ta ish

Ish: Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

  1. Density Functional Theory Estimate of Halide Perovskite Band Gap: When Spin Orbit Coupling Helps

    Tilak Das, Giovanni Di Liberto, Gianfranco Pacchioni

    Maqola20224 iqtibos
    ABI

  2. Electronic, mechanical and piezoelectric properties of glass-like complex Na<sub>2</sub>Si<sub>1−<i>x</i></sub>Ge<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0.0, 0.25, 0.50, 0.75, 1.0)

    R. Zosiamliana, B. Chettri, Guilherme S. L. Fabris +4

    MaqolaFerroelectric and Piezoelectric MaterialsRSC Advances20224 iqtibos
    ABI

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

    Razu Ahmed, Md. Mahamudujjaman, Md. Asif Afzal +3

    Maqola20234 iqtibos
    ABI

  4. Progress in the Applications of Smart Piezoelectric Materials for Medical Devices

    Angelika Zaszczyńska, Arkadiusz Gradys, Paweł Sajkiewicz

    Sharh maqola20204 iqtibos
    ABI

  5. Complete set of elastic and piezoelectric coefficients of α-quartz at low temperatures

    Ryuichi Tarumi, Koichi Nakamura, Hirotsugu Ogi +1

    Maqola20074 iqtibos
    ABI

  6. Progress in high-strain perovskite piezoelectric ceramics

    Jigong Hao, Wei Li, Jiwei Zhai +1

    Maqola20183 iqtibos
    ABI

  7. Half-Heusler Semiconductors as Piezoelectrics

    Anindya Roy, Joseph W. Bennett, Karin M. Rabe +1

    Maqola20123 iqtibos
    ABI

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

    Chris Bowen, Hyunsun A. Kim, Paul M. Weaver +1

    Maqola20133 iqtibos
    ABI

  9. Energy collection via Piezoelectricity

    Ch. Naveen Kumar

    Maqola20153 iqtibos
    ABI

  10. Advances in piezoelectric halide perovskites for energy harvesting applications

    Hyojin Park, Chihyeon Ha, Ju‐Hyuck Lee

    Maqola20203 iqtibos
    ABI

  11. A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive Hydrostatic Pressure: Ab Initio Study

    Zosiamliana Renthlei, M. Prasad, Juluru Sivakumar +7

    MaqolaGlass properties and applicationsACS Omega20233 iqtibos
    ABI

  12. Rationale for mixing exact exchange with density functional approximations

    John P. Perdew, Matthias Ernzerhof, Kieron Burke

    Maqola19963 iqtibos
    ABI

  13. Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer

    K. Kim, Kenneth D. Jordan

    Maqola19943 iqtibos
    ABI

  14. Solving the Christoffel equation: Phase and group velocities

    Jan Jaeken, Stefaan Cottenier

    Maqola20163 iqtibos
    ABI

  15. <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

    Joachim Laun, Thomas Bredow

    Maqola20223 iqtibos
    ABI

  16. Berry-phase theory of proper piezoelectric response

    David Vanderbilt

    Maqola20003 iqtibos
    ABI

  17. Effect of pressure on the optical-absorption edges of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CsGeBr</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CsGeCl</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

    Ulrich Schwarz, Frank R. Wagner, K. Syassen +1

    Maqola19962 iqtibos
    ABI

  18. Kristallstrukturen und Phasentransformationen von Caesiumtrihalogenogermanaten(II) CsGeX<sub>3</sub> (X = Cl, Br, I)

    Gerhard Thiele, H. Rotter, Klaus D. Schmidt

    Maqola19872 iqtibos
    ABI

  19. Elastic and Piezoelectric Constants of Alpha-Quartz

    R. Bechmann

    Maqola19582 iqtibos
    ABI

  20. First Principles Calculations of Linear and Second-Order Optical Responses in Rhombohedrally Distorted Perovskite Ternary Halides, CsGeX<sub>3</sub>(X = Cl, Br, and I)

    Li‐Chuan Tang, Yia‐Chung Chang, Jung-Yau Huang +2

    Maqola20092 iqtibos
    ABI

  21. Highly‐Efficient, Flexible Piezoelectric PZT Thin Film Nanogenerator on Plastic Substrates

    Kwi‐Il Park, Jung Hwan Son, Geon‐Tae Hwang +8

    Maqola20142 iqtibos
    ABI

  22. Stretchable piezoelectric nanocomposite generator

    Kwi‐Il Park, Chang Kyu Jeong, Na Kyung Kim +1

    Sharh maqola20162 iqtibos
    ABI

  23. Inhomogeneous electron gas

    Rajaram Nityananda, P. C. Hohenberg, W. Kohn

    Maqola20172 iqtibos
    ABI

  24. Predictive Determination of Band Gaps of Inorganic Halide Perovskites

    Julia Wiktor, Ursula Röthlisberger, Alfredo Pasquarello

    Maqola20172 iqtibos
    ABI

  25. Theoretical Investigations of the Hexagonal Germanium Carbonitride

    Xinhai Yu, Zhenyang Ma, Suriguge +1

    Maqola20182 iqtibos
    ABI