Research Article

Electronic Structure, Electronic Charge Density, and Optical Properties Analysis of GdX3 (X = In, Sn, Tl, and Pb) Compounds: DFT Calculations

Table 1

Density of states () of GdX3 compounds in both spins at ambient conditions.

SolidsApproximation() (states/eV)
Spin-upSpin-down

GdIn3LSDA + 0.535111.141.472.69
Expt. 1.59a
GdSn3LSDA + 0.588731.011.232.82
Expt. 2.51a
GdTl3LSDA + 0.547590.561.251.32
GdPb3LSDA + 0.524370.771.824.30

aThe paper [5].