Magnetic coupling in CoCr_2O_4 and MnCr_2O_4: an LSDA+U study

Abstract

We present a first principles LSDA+U study of the magnetic coupling constants in the spinel magnets CoCr_2O_4 and MnCr_2O_4. Our calculated coupling constants highlight the possible importance of AA interactions in spinel systems with magnetic ions on both A and B sites. Furthermore, we show that a careful analysis of the dependence of the magnetic coupling constants on the LSDA+U parameters provides valuable insights in the underlying coupling mechanisms, and allows to obtain a quantitative estimate of the magnetic coupling constants. We discuss in detail the capabilities and possible pitfalls of the LSDA+U method in determining magnetic coupling constants in complex transition metal oxides.

10 pages, 3 figures; final version; revised discussion of J dependence

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Cited by in corpus (13)

• Canted-spin-caused electric dipoles: a local symmetry theory
• Magnetic phase evolution in the spinel compounds Zn${}_{1-x}$Co${}_x$Cr${}_2$O${}_4$
• Unconventional magnetostructural transition in CoCr2O4 at high magnetic fields
• Strain-Induced Magnetic Anisotropy in Epitaxial Thin Films of the Spinel CoCr${}_2$O${}_4$
• Systematic analysis of structural and magnetic properties of spinel $Co{B}_2{O}_4$(B=Cr,Mn and Fe)compounds from their electronic structures
• Tuning magnetic frustration on the diamond lattice of the A-site magnetic spinels CoAl${}_{2-x}$Ga${}_x$O${}_4$: Lattice expansion and site disorder
• Magnetoelectric and Raman spectroscopic studies of single-crystalline MnCr2O4
• Magnetic properties of strained multiferroic CoCr2O4: a soft X-ray study
• Magnetic and Structural Phase Transitions in the Spinel Compound Fe1+xCr2-xO4
• Evolution of magnetic properties in the normal spinel solid solution Mg(1-x)Cu(x)Cr2O4
• Emergent magnetic state in (111)-oriented quasi-two-dimensional spinel oxides
• On the complexity of spinels: Magnetic, electronic, and polar ground states
• Site occupancies and their effects on the physical properties of spinel $Co{\left(C{r}_{1-x}F{e}_x\right)}_2{O}_4$: an {\it ab initio} study