Optimizing Configurations for Determining the Electromagnetic Properties of CsFeF3, NaFeF3, and RbFeF3 Fluorides: GGA vs GGA+U and TB-mBj Approaches

The structural, electronic and magnetic properties of (Cubic Pm-3m, Hexagonal-4H, orthorhombic Pnma, and orthorhombic Pbnm) phases of AFeF3 Fluorides (A = Cs, Na, and Rb) are reported theoretically using full potential linearized augmented plane waves method within the density functional theory (DFT...

Full description

Bibliographic Details
Main Authors: Sihem Filalli, Noura Hamdad
Format: Article
Language:English
Published: Sciendo 2020-12-01
Series:Annals of West University of Timisoara: Physics
Subjects:
Online Access:https://doi.org/10.2478/awutp-2020-0005