Study of Structural and Electronic Properties of Fluoride Perovskite KCaF3 using FP-LAPW Method

Authors

  • K. Neupane Department of Physics, Butwal multiple campus, Butwal
  • R. K. Thapa Department of Physics, Condensed Matter Theory Research Group Mizoram University, Aizawl 796 004, Mizoram

DOI:

https://doi.org/10.3126/hj.v6i0.18370

Keywords:

Optical lithography, Density of states, Doping, Spin-orbit coupling

Abstract

To study the structural and electronic properties of cubical perovskite KCaF3, the first principles calculation within the full potential linearized augmented plane wave (FP-LAPW) method is applied. The exchange correlation effects are included through the GGA exchange potential. The calculated structural properties such as equilibrium lattice constant, the bulk modulus and its pressure derivative are in agreement with the published results of other authors. From our study we have found that the band gap of KCaF3 is 6.4 eV which is the indication of insulating behavior.

The Himalayan Physics Vol. 6 & 7, April 2017 (100-103)

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Published

2017-10-12

How to Cite

Neupane, K., & Thapa, R. K. (2017). Study of Structural and Electronic Properties of Fluoride Perovskite KCaF3 using FP-LAPW Method. Himalayan Physics, 6, 100–103. https://doi.org/10.3126/hj.v6i0.18370

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