Three novel phases in the Sm-Co-Ga system. Syntheses, crystal and electronic structures, and electrical and magnetic properties

YongZhong Jia; Claude Belin; Monique Tillard; Laurence Lacroix-Orio; David Zitoun; GuoHua Feng

doi:10.1021/ic0700755

Three novel phases in the Sm-Co-Ga system. Syntheses, crystal and electronic structures, and electrical and magnetic properties

Inorg Chem. 2007 May 14;46(10):4177-86. doi: 10.1021/ic0700755. Epub 2007 Apr 20.

Authors

YongZhong Jia¹, Claude Belin, Monique Tillard, Laurence Lacroix-Orio, David Zitoun, GuoHua Feng

Affiliation

¹ Institut Charles Gerhardt, UMR 5253 CNRS UM2, AIME, Sciences et Techniques du Languedoc, Université de Montpellier II, CC15, 2 Place Eugène Bataillon, 34095 Montpellier Cedex 5, France.

PMID: 17444637
DOI: 10.1021/ic0700755

Abstract

This paper presents the synthesis, identification, and characterization of three novel phases in the ternary system Sm-Co-Ga: SmCoGa5 (tP7, HoCoGa5 type, tetragonal P4/mmm, Z = 1, a = 4.2419(3) A, and c = 6.8559(5) A), Sm4Co3Ga16 (tP23, tetragonal P4/mmm, Z = 1, a = 6.0620(5) A, and c = 11.1495(9) A), and SmCoGa4 (oC24, YNiAl4 type, orthorhombic Cmcm, Z = 4, a = 4.1246(6) A, b = 15.608(2) A, and c = 6.4556(9) A). The structure of SmCoGa5 was obtained from a multiphase X-ray powder Rietveld refinement whereas the crystal structures of the other two phases were determined from single-crystal X-ray analysis. Electronic structures were calculated for all phases by first-principles DFT methods. The atomic arrangements and bonding are discussed on the basis of the partial anionic networks involving Co and Ga atoms, and a strong structural correlation is observed between SmCoGa5 and Sm4Co3Ga16. The latter, which displays paramagnetic behavior, has a resistivity of 4.2 microOmega.cm at 3 K and undergoes a superconducting transition at 2.8 K.