๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Full-potential calculation of the structural, elastic, electronic and magnetic properties of XFeO3 (X=Sr and Ba) perovskite

โœ Scribed by H. Rached; D. Rached; M. Rabah; R. Khenata; Ali H. Reshak


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
320 KB
Volume
405
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


On the Structural and Electronic Factors
โœ M.-H. Whangbo; H.-J. Koo; K.-S. Lee; O. Gourdon; M. Evain; S. Jobic; R. Brec ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 332 KB

The hexagonal perovskite-type oxides A x BO 3 (A โ€ซุโ€ฌ Ca, Sr, Ba; B โ€ซุโ€ฌ Co, Ni) consist of (BO 3 ) chains made up of face-sharing BO 6 octahedra and BO 6 trigonal prisms. On the basis of molecular orbital calculations for their structural building blocks we examined why the transition metal atoms in

Ab initio investigation of the structura
โœ K. Haddadi; A. Bouhemadou; L. Louail ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 555 KB

We have investigated the structural, elastic and electronic properties of the anti-perovskite TlNCa 3 using ab initio calculations within the generalized gradient approximation and the local density approximation for the exchange-correlation potential. The lattice constant, bulk modulus, elastic con