Optical properties of the filled tetrahedral semiconductors LiZnX (X=N, P, and As)

Pressure effect on the optical properties of the filled tetrahedral semiconductors LiZnX

“…The rest of the valence and conduction bands are mixture of p and s states with small amount of d states (see Ref. [16] for more details). Under pressure the energy levels for the valence bands decrease while the ones of the conduction bands increase except at the X point where they decrease in LiZnP and LiZnAs.…”

“…The vibrational properties of LiZnAs and LiZnP have been studied by Wood and Strohmayer [14]. The elastic [15] and the optical [16] properties have been reported by two of us. Recently the effect of pressure on the elastic properties has been investigated [17].…”

“…Thus, a detailed knowledge of the dependence of the electronic and optical properties on the pressure is an important subject to study either for fundamental or applied consideration. Under normal pressure, the electronic and optical properties are presented elsewhere [16]. The band gap trend is discussed and the origin of the small gap value in LiZnN compared to LiZnP and LiZnAs is attributed to the strong p-d coupling in this compound.…”

GGA+U study of the electronic and optical properties of hexagonal BN phase ZnO under pressure

“…But standard first-principles method has a flaw, which underestimates the band gap of strongly correlated materials [23]. The materials include ZnO, high temperature superconductor and colossal magnetoresistance materials.…”

The Structure of Semiconductors

“…14). A substantial preference for the Li atom to occur at the site closer to the N atom (rather than the site next to the Zn -the lattice energy of this structure is lower by about 1 eV) makes this compound an ordered crystal with good electronic properties (Carlson et al 1985;Kuriyama and Nakamura 1987;Bacewicz and Ciszek 1988;Yu et al 2004;Kalarasse and Bennecer 2006). It should be noted, however, that the Zn atom is fourfold coordinated with N atoms, while the N atom is fourfold coordinated with Zn and fourfold coordinated with Li; therefore, it has eight nearest neighbors.…”