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Register a new userLattice and magnetic instabilities in CaFe2As2: A single crystal neutron diffraction study
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Neutron diffraction measurements of a high quality single crystal of CaFe2As2 are reported. A sharp transition was observed between the high temperature tetragonal and low temperature orthorhombic structures at TS = 172.5K (on cooling) and 173.5K (on warming). Coincident with the structural transition we observe a rapid, but continuous, ordering of the Fe moments, in a commensurate antiferromagnetic structure is observed, with a saturated moment of 0.80(5)muB/Fe directed along the orthorhombic a-axis. The hysteresis of the structural transition is 1K between cooling and warming and is consistent with previous thermodynamic, transport and single crystal x-ray studies. The temperature onset of magnetic ordering shifts rigidly with the structural transition providing the clearest evidence to date of the coupling between the structural and magnetic transitions in this material and the broader class of iron arsenides.
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Single crystal neutron and high-energy x-ray diffraction have identified the phase lines corresponding to transitions between the ambient-pressure tetragonal (T), the antiferromagnetic orthorhombic (O) and the non-magnetic collapsed tetragonal (cT) phases of CaFe2As2. We find no evidence of additional structures for pressures up to 2.5 GPa (at 300 K). Both the T-cT and O-cT transitions exhibit significant hysteresis effects and we demonstrate that coexistence of the O and cT phases can occur if a non-hydrostatic component of pressure is present. Measurements of the magnetic diffraction peaks show no change in the magnetic structure or ordered moment as a function of pressure in the O phase and we find no evidence of magnetic ordering in the cT phase. Band structure calculations show that the transition results in a strong decrease of the iron 3d density of states at the Fermi energy, consistent with a loss of the magnetic moment.
A detailed elastic neutron scattering study of the structural and magnetic phase transitions in single-crystal SrFe$_2$As$_2$ reveals that the orthorhombic (O)-tetragonal (T) and the antiferromagnetic transitions coincide at $T_texttt{O}$ = $T_texttt{N}$ = (201.5 $pm$ 0.25) K. The observation of coexisting O-T phases over a finite temperature range at the transition and the sudden onset of the O distortion provide strong evidences that the structural transition is first order. The simultaneous appearance and disappearance within 0.5 K upon cooling and within 0.25 K upon warming, respectively, indicate that the magnetic and structural transitions are intimately coupled. We find that the hysteresis in the transition temperature extends over a 1-2 K range. Based on the observation of a remnant orthorhombic phase at temperatures higher than emph{T}$_texttt{O}$, we suggest that the T-O transition may be an order-disorder transition.
The density functional non-interacting susceptibility has been analyzed in different phases of CaFe2As2 and compared with similar data for pure d-metals. The conditions for the no local moment itinerant state with large frustrations are found for the collapsed phase (corresponding to superconducting phase). This itineracy determines the instability versus the incommensurate magnetic order for the narrow region of wave vectors. For the ambient pressure phase, the local moments on Fe atoms with much less frustrated antiferromagnetic interactions are stabilized and a magnetic short or long range order for all wave vectors is developed.
This paper presents results of a recent study of multiferroic CCO by means of single crystal neutron diffraction. This system has two close magnetic phase transitions at $T sub{N1}=24.2$ K and $T sub{N2}=23.6$ K. The low temperature magnetic structure below $T sub{N2}$ is unambiguously determined to be a fully 3-dimensional proper screw. Between $T sub{N1}$ and $T sub{N2}$ antiferromagnetic order is found that is essentially 2-dimensional. In this narrow temperature range, magnetic near neighbor correlations are still long range in the ($H,K$) plane, whereas nearest neighbors along the $L$-direction are uncorrelated. Thus, the multiferroic state is realized only in the low-temperature 3-dimensional state and not in the 2-dimensional state.
Among various parent compounds of iron pnictide superconductors, EuFe2As2 stands out due to the presence of both spin density wave of Fe and antiferromagnetic ordering (AFM) of the localized Eu2+ moment. Single crystal neutron diffraction studies have been carried out to determine the magnetic structure of this compound and to investigate the coupling of two magnetic sublattices. Long range AFM ordering of Fe and Eu spins was observed below 190 K and 19 K, respectively. The ordering of Fe2+ moments is associated with the wave vector k = (1,0,1) and it takes place at the same temperature as the tetragonal to orthorhombic structural phase transition, which indicates the strong coupling between structural and magnetic components. The ordering of Eu moment is associated with the wave vector k = (0,0,1). While both Fe and Eu spins are aligned along the long a axis as experimentally determined, our studies suggest a weak coupling between the Fe and Eu magnetism.
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