Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x=0.1-0.95) Showing Cerium Valence Fluctuations

被引：20

作者：

Niehaus, Oliver ^{[1
]}

Rodewald, Ute Ch. ^{[2
]}

Abdala, Paula M. ^{[3
]}

Touzani, Rachid St. ^{[4
]}

Fokwa, Boniface P. T. ^{[4
]}

Janka, Oliver ^{[2
]}

机构：

[1] Univ Munster, NRW Grad Sch Chem, D-48149 Munster, Germany

[2] Univ Munster, Inst Anorgan & Analyt Chem, D-48149 Munster, Germany

[3] European Synchrotron Radiat Facil, Swiss Norwegian Beamlines SNBL, F-38043 Grenoble, France

[4] Rhein Westfal TH Aachen, Inst Anorgan Chem, D-52074 Aachen, Germany

来源：

INORGANIC CHEMISTRY | 2014年 / 53卷 / 05期

关键词：

X-RAY-ABSORPTION; CRYSTAL-STRUCTURES; CE; INTERMETALLICS; SUSCEPTIBILITY; ALUMINIDES; STATE; XAS;

D O I：

10.1021/ic402414f

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Members of the solid solution series of CeRu1-xNixAl can be obtained directly by arc melting of the elements, The presented compounds with 0.1 <= x <= 0.85 crystallize in the orthorhombic space group Pnma (No. 62) in the LaNiAl structure type, while for 0.9 <= x <= 1; the hexagonal ZrNiAl-type structure is found. The orthorhombic members exhibit an anomaly in the trend of the lattice parameters as well as an interesting behavior of the magnetic susceptibility, suggesting that the cerium cations exhibit no local moment. Besides the mixed-valent nature of the cerium cations, valence fluctuations along with a change in the cerium oxidation state depending on the nickel content have been found. The oxidation state has been determined from the magnetic data and additionally by XANES. Density functional theory calculations have identified the shortest Ce-Ru interaction as decisive for the stability of the orthorhombic solid solution.

引用

页码：2471 / 2480

页数：10