Elastic Properties and the Band Gap of Semiconductor Alloy: A Comparative Study of Various Ab Initio Approaches

Table 1

Calculated lattice parameters a of AlN and AlP in ZB and WZ structures, ratio, and the internal parameter u in WZ structure.

Reference	a (Å)
Zinc-blende AlN
This work		—	—
Other calc. (LDA)	, ,	—	—
Experimental		—	—
Zinc-blende AlP
This work		—	—
Other calc. (LDA)	, ,	—	—
Experimental		—	—
Wurtzite AlN
This work
Other calc.	, ,	,	,
Experimental
Wurtzite AlP
This work
Other calc.
Experimental	—	—	—

Reference [10–20].