A DFT study to explore structural, elastic, mechanical, phonon, electronic and optical properties of halide perovskites AgXF3(X=Be,Ca)$$ {\mathrm{AgXF}}_3\left(\mathrm{X}=\mathrm{Be},\mathrm{Ca}\right) $$ with PBEsol, TB‐mBJ and SCAN functionals

MLA

Munir, H.Bushra, et al. “A DFT Study to Explore Structural, Elastic, Mechanical, Phonon, Electronic and Optical Properties of Halide Perovskites AgXF3(X=Be,Ca)$$ {\mathrm{AgXF}}_3\left(\mathrm{X}=\mathrm{Be},\mathrm{Ca}\right) $$ with PBEsol, TB‐mBJ and SCAN Functionals.” International Journal of Quantum Chemistry, vol. 124, no. 15, Aug. 2024, pp. 1–15. EBSCOhost, https://doi.org/10.1002/qua.27447.

APA

Munir, H. B., Afaq, A., Gassoumi, A., Ahmed, M., & Bakar, A. (2024). A DFT study to explore structural, elastic, mechanical, phonon, electronic and optical properties of halide perovskites AgXF3(X=Be,Ca)$$ {\mathrm{AgXF}}_3\left(\mathrm{X}=\mathrm{Be},\mathrm{Ca}\right) $$ with PBEsol, TB‐mBJ and SCAN functionals. International Journal of Quantum Chemistry, 124(15), 1–15. https://doi.org/10.1002/qua.27447

Chicago

Munir, H. Bushra, A. Afaq, Abdelaziz Gassoumi, Muhammad Ahmed, and Abu Bakar. 2024. “A DFT Study to Explore Structural, Elastic, Mechanical, Phonon, Electronic and Optical Properties of Halide Perovskites AgXF3(X=Be,Ca)$$ {\mathrm{AgXF}}_3\left(\mathrm{X}=\mathrm{Be},\mathrm{Ca}\right) $$ with PBEsol, TB‐mBJ and SCAN Functionals.” International Journal of Quantum Chemistry 124 (15): 1–15. doi:10.1002/qua.27447.