Manipulating magnetic properties of SrRuO3 and CaRuO3 with epitaxial and uniaxial strains

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 21, 2008, Pages

  Zayak, A T ^a   Huang, X ^b   Neaton, J B ^c   Rabe, Karin M ^d  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b RJ Mears LLC   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^d RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 44949174831     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.214410     Document Type: Article

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30. Discrepancies in the nature of the CaRuO3 magnetic ground state exist in the theoretical literature, with the findings often depending on the method used. For example, early density-functional theory calculations predicted that CaRuO3 is ferromagnetic (Ref.); more recent results reported a G -type antiferromagnetic ground state (Ref.). Separate studies also indicated that CaRuO3 can be ferromagnetic but that the ferromagnetic ground state is metastable with respect to the most stable nonmagnetic solution (Ref.). In our calculations, the fully relaxed ground-state structure is nonmagnetic.
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