Theoretical Study of Possible Iridium Di
โ
S. Jobic; R. Brec; A. Pasturel; H.-J. Koo; M.-H. Whangbo
๐
Article
๐
2001
๐
Elsevier Science
๐
English
โ 359 KB
We examined the feasibility of preparing new high-pressure polymorphs of IrTe 2 by determining the relative energies and unit cell volumes of known and hypothetical forms of IrTe 2 on the basis of 5rst-principles electronic band structure calculations using the Vienna ab initio simulation package (V