Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3

Structural, electronic, elastic, and magnetic properties of NaQF 3 (Q = ag, Pb, Rh, and Ru) flouroperovskites: A first‐principle outcomes

“…Useful properties like conversion of solar energies with high efficiency to electrical energies were predicted for fluoroperovskites. [9][10][11][12] Furthermore, fluoroperovskites are commonly used in material science that as in the semiconductor 13,14 for electrical vehicle power storage devices and lenses industries. 5,[15][16][17][18] A stable fluoroperovskites afford a mixture comprising fluorine with the transition metals (TMs), organic or inorganic compounds.…”

Defect clustering in an Eu-doped NaMgF3 compound and its influence on luminescent properties

“…The electron effective mass used is 0.74m e , reported for fluoroperovskites in Ref. 75. The activation energy used is 1.2 eV.…”

Investigation of ultra wide bandgap Flouro-perovskite materials RBeF3 (R K and Li) for smart window applications: A DFT study

“…An indirect energy gap was found by Syrotyuk's [ 1 ] investigation of the LiBeF 3 crystal's electronic energy bands using the LDA formalism. Benmhidi [ 14 ] determined the indirect band-gap of LiBeF 3 to be 7.83 eV by combining the FP-LMTO approach with the ab initio method to disclose its transport characteristics [ 14 ]. The physical properties of several compounds, such as LiBeF 3 [ 15 , 16 ], and KBeF 3 [ 17 , 18 ] are being studied.…”