Ab initio cycloidal and chiral magnetoelectric responses in Cr2 O3

Physical Review B - Condensed Matter and Materials Physics American Physical Society 94:10 (2016) 100405

Authors:

Natalie Tillack, Jonathan R Yates, Paolo Radaelli

Abstract:

We present a thorough density functional theory study of the magneto-electric (ME) effect in Cr2O3. The spin-lattice ME tensor α was determined in the low-field and spin flop (SF) phases, using the method of dynamical magnetic charges, and found to be the sum of three distinct components. Two of them, a large relativistic "cycloidal" term and a small longitudinal term, are independent on the spin orientation. The third, only active in the SF phases is also of relativistic origin and arises from magnetic-field-induced chirality, leading to a non-toroidal ME response.

Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition

(2016)

Authors:

Christoph G Salzmann, Ben Slater, Paolo G Radaelli, John L Finney, Jacob J Shephard, Martin Rosillo-Lopez, James Hindley

Modulated spin helicity stabilized by incommensurate orbital density waves in a quadruple perovskite manganite

Physical Review B American Physical Society 93:18 (2016) 180403

Authors:

Roger D Johnson, Dmitry D Khalyavin, Pascal Manuel, Alessandro Bombardi, Christine Martin, Laurent C Chapon, Paolo Radaelli

Abstract:

Through a combination of neutron diffraction and Landau theory we describe the spin ordering in the ground state of the quadruple perovskite manganite CaMn7O12 - a magnetic multiferroic supporting an incommensurate orbital density wave that onsets above the magnetic ordering temperature, TN1 = 90 K. The multi-k magnetic structure in the ground state was found to be a nearly-constant-moment helix with modulated spin helicity, which oscillates in phase with the orbital occupancies on the Mn3+ sites via trilinear magneto-orbital coupling. Our phenomenological model also shows that, above TN2 = 48 K, the primary magnetic order parameter is locked into the orbital wave by an admixture of helical and collinear spin density wave structures. Furthermore, our model naturally explains the lack of a sharp dielectric anomaly at TN1 and the unusual temperature dependence of the electrical polarisation.

Modulated spin helicity stabilized by incommensurate orbital density waves in a quadruple perovskite manganite

(2016)

Authors:

RD Johnson, DD Khalyavin, P Manuel, A Bombardi, C Martin, LC Chapon, PG Radaelli

Ab Initio Cycloidal and Chiral Magnetoelectric Responses in Cr$_{2}$O$_{3}$

(2016)

Authors:

Natalie Tillack, Jonathan R Yates, Paolo G Radaelli