Schwingenschlogl, U; Gomez, JA; Grau-Crespo, R; (2009) Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb3Pt4. EPL-EUROPHYS LETT , 88 (6) , Article 67001. 10.1209/0295-5075/88/67001.
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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 (C) EPLA, 2009
|Title:||Electronic structure and magnetic ordering of the unconventional antiferromagnet Yb3Pt4|
|Keywords:||DENSITY-FUNCTIONAL THEORY, EXCHANGE INTERACTIONS|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry|
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