Electronic and magnetic properties of double perovskite Dy{sub 2}MnCoO{sub 6} by first-principles calculation

Journal Article · Wed May 07 00:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4855995· OSTI ID:22273942

Ganeshraj, C.

Using first-principles calculation, we investigate electronic and magnetic properties of Dy{sub 2}MnCoO{sub 6}. A detailed structural optimization has been done and found that the orthorhombic structure with Mn (Co) ions aligning along the longest axis type is the most stable structure. Within the generalized gradient approximation, the spin polarized calculations predict Dy{sub 2}MnCoO{sub 6} to be a half-metallic with ferromagnetic interaction between Mn and Co ions and antiferromagnetic interaction between Dy and Mn/Co ions. We also investigate the effect of Hubbard parameter (U) on the ground state magnetic structure. For all values of Hubbard U parameter the Co ions have nonzero magnetic moment; they do not lie in low-spin state, as in DyCoO{sub 3}.

• OSTI ID: 22273942
• Journal Information: Journal of Applied Physics, Vol. 115, Issue 17; Conference: 55. annual conference on magnetism and magnetic materials, Atlanta, GA (United States), 14-18 Nov 2010; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANTIFERROMAGNETISM
APPROXIMATIONS
COBALT IONS
COBALT OXIDES
DYSPROSIUM COMPOUNDS
ELECTRONIC STRUCTURE
FERROMAGNETISM
GROUND STATES
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MANGANESE COMPOUNDS
MANGANESE IONS
ORTHORHOMBIC LATTICES
PEROVSKITE
SPIN
SPIN ORIENTATION