Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO3 (M  =  Cr, Mn, Fe). (24th January 2018)

• Record Type: Journal Article
• Authors: Okugawa, Takuya; Ohno, Kaoru; Noda, Yusuke; Nakamura, Shinichiro
• Is Part Of: Journal of physics. Volume 30:Number 7(2018)
• Publication Date: 2018-01-24
• Subjects: density functional theory -- symmetry -- Hubbard U -- lanthanum chromite -- lanthanum manganite -- lanthanum ferrite -- spin splitting; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/aa9e70
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: We investigate the spin-dependent electronic states of antiferromagnetic (AFM) lanthanum chromite (LaCrO3 ), lanthanum manganite (LaMnO3 ), and lanthanum ferrite (LaFeO3 ) using spin-polarized first-principles density functional theory with Hubbard U correction. The band structures are calculated for 15 types of their different AFM structures. It is verified for these structures that there is a very simple rule to identify which wave number k exhibits spin splitting or degeneracy in the band structure. This rule uses the symmetry operations that map the up-spin atoms onto the down-spin atoms. The resulting spin splitting is very small for the most stable spin configuration of the most stable experimental structure. We discuss a plausible benefit of this characteristic, i.e. the direction-independence of the spin current, in electrode applications.