FeTi${}_2$O${}_5$: a spin Jahn-Teller transition enhanced by cation substitution

Abstract

We have used muon-spin rotation, heat capacity and x-ray diffraction measurements in combination with density functional theory and dipole field calculations to investigate the crystal and magnetic structure of FeTi${}_2$O${}_5$. We observe a long range ordered state below $T_{\mathrm{N}}$=41.8(5) K with indications of significant correlations existing above this temperature. We determine candidate muon stopping sites in this compound, and find that our data are consistent with the spin Jahn-Teller driven antiferromagnetic ground state with $\mathbf{k}$=(1/2,1/2,0) reported for CoTi${}_2$O${}_5$ ($T_{\mathrm{N}}$=26 K). By comparing our data with calculated dipolar fields we can restrict the possible moment size and directions of the Fe${}^{2+}$ ions.

References in corpus (9)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Order by distortion and string modes in pyrochlore antiferromagnet
• Spin Driven Jahn-Teller Distortion in a Pyrochlore system
• Playing quantum hide-and-seek with the muon: localizing muon stopping sites
• An anisotropic local modification of crystal field levels in Pr-based pyrochlores: a muon-induced effect modelled using density functional theory
• Observation of elastic anomalies driven by coexisting dynamical spin Jahn-Teller effect and dynamical molecular spin state in paramagnetic phase of the frustrated MgCr${}_2$O${}_4$$
• Spin Jahn-Teller antiferromagnetism in CoTi${}_2$O${}_5$
• Static and Fluctuating Magnetic Moments in the Ferroelectric Metal LiOsO${}_3$

Cited by in corpus (5)

• DFT+μ: Density Functional Theory for Muon Site Determination
• MuFinder: A program to determine and analyse muon stopping sites
• Ab initio modeling and experimental investigation of Fe${}_2$P by DFT and spin spectroscopies
• A possible spin Jahn-Teller material: ordered pseudobrookite FeTi2O5
• Elastic softness of low-symmetry frustrated $A$Ti${}_2$O${}_5$ ($A$ = Co, Fe)