Crystal and magnetic structures of the Ir(V) JeffIr = 0 double perovskite LaSrNiIrO6

Autor:	Martínez de Irujo-Labalde, X, Page, JE, Morgan, HWT, McGrady, JE, Hayward, MA
Rok vydání:	2022
Předmět:	Inorganic Chemistry Materials Chemistry Ceramics and Composites Physical and Theoretical Chemistry Condensed Matter Physics Electronic Optical and Magnetic Materials
Zdroj:	Journal of Solid State Chemistry. 315:123477
ISSN:	0022-4596
DOI:	10.1016/j.jssc.2022.123477
Popis:	LaSrNiIrO6 adopts a B-site cation-ordered double perovskite structure with a strong a–a–c​+ ​cooperative tilting distortion (space group P21/n a ​= ​5.5931(1) Å, b ​= ​5.5676(1) Å, c ​= ​7.8850(1) Å, β ​= ​90.01(1) o). Magnetization and neutron diffraction data indicate LaSrNiIrO6 adopts a ‘type II’ antiferromagnetic structure (TN ​= ​70 ​K) in which the Ni spins are arranged in an antiferromagnetic manner with their next-nearest-neighbors, with no ordered moment observed for Ir. DFT calculations, including spin-orbit coupling effects, confirm S ​= ​1 Ni2+ and Jeff ​= ​0 Ir5+ local configurations and indicate strong Ni(3dx2−y2)1 –O(2p)–Ir(5dx2−y2)0–O(2p)–Ni(3dx2−y2)1 σ-type super-super-exchange is the dominant magnetic coupling interaction in the system.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c71781a58db6f598dfff8a8223c431ab https://doi.org/10.1016/j.jssc.2022.123477 Zobrazit plný text záznamu Full Text from ScienceDirect