A Comparative Study of Optical Anisotropies of BC₃ and B₃C Systems by Density Functional Theory

Table 1

Comparison of electronic and optical properties of BC₃ and B₃C systems.

Physical properties	BC3	B3C	Pristine
Fermi energy	4.25 eV	3.61 eV	6.03 eV
Static real dielectric constant	38.45 (Un)	346.58 (Un)	19.82 (Un)
	21.71 (Perp)	76.80 (Perp)	11.66 (Perp)
	33.26 (Para)	396.71 (Para)	30.98 (Para)
Absorption coefficient	Lower	Higher	Highest
Loss function	Lower (7–12 eV) (Un)	Higher in the same Range (Un)	Higher than BC3 but lower than B3C (Un)
Reflectivity	Smaller (Para)	Larger (Para)	Higher than BC3 but very close to B3C (Para)

(Un: unpolarized, Perp: perpendicular, Para: parallel).