Study of Structural and Electronic Properties of CsMgCl3 Compound

  • Aman Kumar Department of Physics, Keral Verma Subharti College Of Science, Swami Vivekanad Subharti University Meerut, India
  • Harshit Gupta Department of Electrical Engineering, Swami Vivekanand Subharti University Meerut, India
  • Dev Kumar Department of Physics, C.C.S University Meerut, India
  • Ritu Sharma Department of Electronic and Communication Engineering, Subharti Polytechnic College, Swami Vivekanand Subharti University Meerut
  • Anuj Kumar Mahamaya Goverment Degree college, Shearkot Bijnore, UP, India
  • Subodh Kumar Sharma Department of Physics, S. S. V. College, Hapur (C. C. S. University, Meerut U. P.), India
  • Aman Pal Singh Department of Physics, M.M. College, Modinagar (C. C. S. University, Meerut U. P.), India
Keywords: GGA, Optoelectronic, Power generator, Band gap


In this report, we have investigated the CsMgCl3 compound with the help of the WIEN2K software package. The structural and electronic properties are performed using the full potential augmented plane wave (FP-LAPW) method with the generalised gradient approximation (GGA) approximation as exchange correlation potentials. We used the Birch-Murnaghan equation (BME) to find the structural properties of the material. These include the lattice parameter, the bulk modulus, the first derivative of the bulk modulus, the minimum energy, and the volume. The structural properties match up with the experimental data. Electronic properties in terms of the band structure (BS) and total and partial density of state (T-DOS and P-DOS) profiles of CsMgCl3 using GGA potentials exhibit an indirect wide energy band gap of 5.35 eV. All these properties show that the CsMgCl3 compound is used as a perovskite in solar cells.


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How to Cite
Kumar, A., Gupta, H., Kumar, D., Sharma, R., Kumar, A., Sharma, S. K., & Singh, A. P. (2024). Study of Structural and Electronic Properties of CsMgCl3 Compound. East European Journal of Physics, (1), 355-360.