Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb3Pt4

Schwingenschlögl, Udo; Gómez, Javier Alexandra M; Grau-Crespo, Ricardo

Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb3Pt4

Type

Article

Authors

Schwingenschlögl, Udo

Gómez, Javier Alexandra M
Grau-Crespo, Ricardo

KAUST Department

Computational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division

Online Publication Date

2009-12-18

Print Publication Date

2009-12-01

Date

2009-12-18

Abstract

Applying density functional theory within the generalized gradient approximation, we investigate the electronic and magnetic properties of the intermetallic rare-earth system Yb3Pt4. This material recently has been put forward as host for quantum criticality, while details of the magnetic ordering could not be established (Bennett N. C.et al., J. Magn. & Magn. Mater., 321 (2009) 2021). In this context, we investigate the effect of spin-orbit coupling and compare various spin patterns from the energetic point of view, which enables us to determine the electronic ground state of Yb3Pt4. The assumption of an elementary superexchange mechanism yields a magnetic-coupling constant in good agreement with the experimental ordering temperature. Copyright © 2009 EPLA.

Citation

Schwingenschlögl, U., Gomez, J. A., & Grau-Crespo, R. (2009). Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb 3 Pt 4. EPL (Europhysics Letters), 88(6), 67001. doi:10.1209/0295-5075/88/67001