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Register a new userCrystal Structure and Magnetic Properties of the Ba3TeCo3P2O14, Pb3TeCo3P2O14, and Pb3TeCo3V2O14 Langasites
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We report the structural and magnetic characterizations of Ba3TeCo3P2O14, Pb3TeCo3P2O14, and Pb3TeCo3V2O14, compounds that are based on the mineral Dugganite, which is isostructural to Langasites. The magnetic part of the structure consists of layers of Co2+ triangles. Nuclear and magnetic structures were determined through a co-refinement of synchrotron and neutron powder diffraction data. In contrast to the undistorted P321 Langasite structure of Ba3TeCo3P2O14, a complex structural distortion yielding a large supercell is found for both Pb3TeCo3P2O14 and Pb3TeCo3V2O14. Comparison of the three compounds studied along with the zinc analog Pb3TeZn3P2O14, also characterized here, suggests that the distortion is driven by Pb2+ lone pairs; as such, the Pb compounds crystallize in a pyroelectric space group, P2. Magnetic susceptibility, magnetization, and heat capacity measurements were performed to characterize the magnetic behavior. All three compounds become antiferromagnetic with Neel temperatures TN ~ 21 K (Ba3TeCo3P2O14), ~ 13 K (Pb3TeCo3P2O14), and ~ 8 K (Pb3TeCo3V2O14), and they exhibit magnetic transitions at high applied magnetic fields, suggesting intrinsically complex magnetic behavior for tetrahedrally coordinated d7 Co2+ in this structure type.
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We report on the crystal structure, magnetic susceptibility, specific heat, electrical and thermoelectrical properties of AmPd5Al2, the americium counterpart of the unconventional superconductor NpPd5Al2. AmPd5Al2 crystallizes in the ZrNi2Al5-type of structure with lattice parameters: a = 4.1298 A and c = 14.7925 A. Magnetic measurements of AmPd5Al2 indicate a paramagnetic behavior with no hint of magnetic ordering nor superconductivity down to 2 K. This aspect is directly related to its 5f6 electronic configuration with J = 0. The specific heat measurements confirm the non magnetic ground state of this compound. The low temperature electronic specific heat gamma_el = 20 mJ mol-1K-2 is clearly enhanced as compared to americium metal. All transport measurements obtained point to a metallic behavior in AmPd5Al2.
Huge deformations of the crystal lattice can be achieved in materials with inherent structural instability by epitaxial straining. By coherent growth on seven different substrates the in-plane lattice constants of 50 nm thick Fe70Pd30 films are continuously varied. The maximum epitaxial strain reaches 8,3 % relative to the fcc lattice. The in-plane lattice strain results in a remarkable tetragonal distortion ranging from c/abct = 1.09 to 1.39, covering most of the Bain transformation path from fcc to bcc crystal structure. This has dramatic consequences for the magnetic key properties. Magnetometry and X-ray circular dichroism (XMCD) measurements show that Curie temperature, orbital magnetic moment, and magnetocrystalline anisotropy are tuned over broad ranges.
In the exploration of new osmium based double perovskites, Sr2FeOsO6 is a new insertion in the existing family. The polycrystalline compound has been prepared by solid state synthesis from the respective binary oxides. PXRD analysis shows the structure is pseudo-cubic at room temperature, whereas low-temperature synchrotron data refinements reveal the structure to be tetragonal, space group I4/m. Heat capacity and magnetic measurements of Sr2FeOsO6 indicated the presence of two magnetic phase transitions at T1 = 140 K and T2 = 67 K. Band structure calculations showed the compound as a narrow energy gap semiconductor, which supports the experimental results obtained from the resistivity measurements. The present study documents significant structural and electronic effects of substituting Fe3+ for Cr3+ ion in Sr2CrOsO6.
Polar magnetic oxide HoCrWO$_6$ is synthesized and its crystal structure, magnetic structure, and thermodynamic properties are investigated. HoCrWO$_6$ forms the polar crystal structure (space group Pna2$_1$ (#33)) due to the cation ordering of W$^{6+}$ and Cr$^{3+}$. There is an antiferromagnetic transition at TN = 24.5 K along with the magnetic entropy change (~5 J.Kg.$^{-1}$K$^{-1}$ at 70 kOe). Neutron diffraction measurement indicates that both Cr and Ho sublattices are ordered with the moment of 2.32(5)$mu_B$ and 8.7(4)$mu_B$ at 2 K, respectively. While Cr forms A-type collinear antiferromagnetic (AFM) structure with magnetic moment along the $b$ axis, Ho sublattice orders in a non-coplanar AFM arrangement. A comparison with isostructural DyFeWO$_6$ and DyCrWO$_6$ indicates that the magnetic structure of this family of compounds is controlled by the presence or absence of eg electrons in the transition metal sublattice.
The equilibrium structure and functional properties exhibited by brownmillerite oxides, a family of perovskite-derived structures with alternating layers of $B$O$_6$ octahedra and $B$O$_4$ tetrahedra, viz., ordered arrangements of oxygen vacancies, is dependent on a variety of competing crystal-chemistry factors. We use electronic structure calculations to disentangle the complex interactions in two ferrates, Sr$_2$Fe$_2$O$_5$ and Ca$_2$Fe$_2$O$_5$, relating the stability of the equilibrium (strain-free) and thin film structures to both previously identified and newly herein proposed descriptors. We show that cation size and intralayer separation of the tetrahedral chains provide key contributions to the preferred ground state. We show the bulk ground state structure is retained in the ferrates over a range of strain values; however, a change in the orientation of the tetrahedral chains, i.e., a perpendicular orientation of the vacancies relative to the substrate, is stabilized in the compressive region. The structure stability under strain is largely governed by maximizing the intraplane separation of the `dipoles generated from rotations of the FeO$_4$ tetrahedra. Lastly, we find that the electronic band gap is strongly influenced by strain, manifesting as an unanticipated asymmetric-vacancy alignment dependent response. This atomistic understanding establishes a practical route for the design of novel functional electronic materials in thin film geometries.
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