B-site ordered perovskite LaSrMnNbO6: Synthesis, structure and antiferromagnetism

Yang, Tao; Perkisas, Tyché; Hadermann, Joke; Croft, Mark; Ignatov, Alexander; Greenblatt, Martha

doi:10.1016/j.jssc.2010.08.041

Cited by 15 publications

(10 citation statements)

References 19 publications

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“…The positive Cauchy pressure for CaSn 3 can be misleading since corrections due to many-body interaction between atoms and electron gas are not taken into account in details in determining the elastic constants [81]. The values of the estimated single crystal elastic constants, C 11 and C 12 show excellent agreement with previous theoretical study [48]. But the estimated values of C 44 show large deviation.…”

Section: Discussionsupporting

confidence: 68%

“…We note that the very small value of C 44 (4.60 GPa) predicted in Ref. 48 would result in an unrealistically high value of the machinability index and raises question regarding its accuracy. Low value of the universal log-Euclidean index (A L ) implies that the bonding strengths in CaSn 3 are fairly isotropic along different directions within the crystal and the compound does not show layered characteristics.…”

Section: Discussionmentioning

confidence: 74%

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Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal

Naher

Naqib

2020

Journal of Alloys and Compounds

114

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In recent days, topological semimetals have become an active branch of materials research. The topological Weyl semimetal CaSn 3 , belonging to the AuCu 3 type cubic structure, is an important electronic system to investigate both from the point of view of fundamental physics and prospective applications. In this work, we have studied the structural, elastic, mechanical, electronic, bonding, Fermi surface and optical properties of CaSn 3 in detail via first-principles method using the density functional theory. A comprehensive study of elastic constants and moduli shows that CaSn 3 possesses low level of elastic anisotropy, reasonably good machinability, mixed bonding characteristics with ionic and covalent contributions, brittle nature and relatively high Vickers hardness with a low Debye temperature. The mechanical stability conditions are fulfilled. Analysis of bond population supports the bonding nature as indicated by the elastic parameters. The bulk electronic band structure reveals clear semimetallic features with signature Dirac cone-like dispersions near the Fermi level. A pseudogap in the electronic energy density of states at the Fermi level separating the bonding and the antibonding peaks points towards significant electronic stability of cubic CaSn 3 . The Fermi surface mostly consists of electron-like sheets with very few small hole pockets. The band structure is fairly isotropic in the k-space. The optical constants show interesting characteristics. The reflectivity spectra show almost non-selective behavior over a wide range of photon energy encompassing infrared to midultraviolet regions. High reflectivity over wide spectral range makes CaSn 3 a suitable material for reflecting coating. CaSn 3 is an efficient absorber of ultraviolet radiation. The refractive index is very high in the infrared to visible range. All the energy dependent optical parameters exhibit clear metallic signatures and are in complete accord with the underlying bulk electronic density of states calculations.Structural, elastic, electronic (with and without SOC), magnetic, enthalpy, vibrational, electron phonon coupling, and some thermal properties have been studied for CaSn 3 [22 -24] so far. Among these, elastic properties have been explored lightly, and to the best of our knowledge, a detailed study of elastic properties including Cauchy pressure, tetragonal shear modulus, Kleinman parameter, machinability index, hardness, and anisotropy in elastic moduli are still lacking. The acoustic velocities, Debye temperature, electronic properties related to the Fermi surface, charge density distribution of atoms, Mulliken bond population analysis and optical properties of CaSn 3 have not yet been discussed theoretically and experimentally at all. As far as possible applications are concerned, a thorough understanding of the elastic and mechanical response of a compound is essential. This enables us to predict the behavior of the material under

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Section: Discussionsupporting

confidence: 68%

Section: Discussionmentioning

confidence: 74%

Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal

Naher

Naqib

2020

Journal of Alloys and Compounds

114

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“…Thus, the magnetic interactions are mainly transmitted through O 2--Sb 5þ -O 2three-ion-bridges, which are expected to be weak. 23 This result interprets the low Neel temperature of the samples and other similar systems like LaCaCoNbO 6 (T N ¼ 17 K) 24 and Sr 2 CoWO 6 (T N ¼ 24 K). 25 The magnetizations increase sharply with the decreasing the temperature after cooling in zero-field below 100 K, which can also be put down to the antiferromagnetic interactions.…”

Section: A Crystal Structuresupporting

confidence: 79%

Lanthanide contraction effect on crystal structures, magnetic, and dielectric properties in ordered double perovskites LnPbCoSbO6 (Ln = La, Pr, Nd)

Han

Bai

Meng

et al. 2014

Journal of Applied Physics

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Articles you may be interested inEffect of Pr-and Nd-doping on structural, dielectric, and magnetic properties of multiferroic Bi0.8La0.2Fe0.9Mn0.1O3 Magnetic and charge ordering properties of Bi0.6-x(RE)xCa0.4MnO3 (0.0 x 0.6) perovskite manganites J. Appl. Phys. 111, 07E128 (2012); 10.1063/1.3675982 Synthesis, magnetic properties, and neutron diffraction study of the complex perovskites R ( Cu 3 x Mn x ) Mn 4 O 12 ( R = Pr , Nd and x = 1 , 2 ) J. Appl. Phys. 108, 083905 (2010); 10.1063/1.3498807Control of magnetic ordering by altering Co-Co distances in La 0.9 R 0.1 Co 2 P 2 ( R = Ce , Pr, Nd, and Sm) phases with ThCr 2 Si 2 -type structuresThe crystal structures, magnetic, and dielectric properties for the ordered double perovskites LnPbCoSbO 6 (Ln ¼ La, Pr, Nd) have been investigated. The crystal structure has been solved by Rietveld refinements of X-ray diffraction data in the monoclinic space group P2 1 /n (No. 14). The Co 2þ and Sb 5þ ions are almost fully ordered over the B-site, and the octahedral framework displays significant tilting distortion according to the Glazer's tilt system aac þ . As the result of lanthanide contraction from La 3þ to Nd 3þ , the B-site sublattice distortions become stronger accompanying with the reduction of the tolerance factor and coordination number. The magnetization measurements show an antiferromagnetic ordering with large effective magnetic moments (l eff ) suggesting that the orbital component is significant. The maximum values of isothermal magnetization increase with the decrease in radii of rare earth ions, which is attributed to the weakening of antiferromagnetic interaction via Co 2þ -O-Sb 5þ -O-Co 2þ paths. The dielectric constants present frequency dependence and monotonically decrease with the ionic radii reduction from La 3þ to Nd 3þ due to the suppression of electron transfer. These results indicate that the magnetic and dielectric properties can be tuned by controlling the degree of lattice distortion, which is realized by introducing different Ln 3þ ions at the A-site. V C 2014 AIP Publishing LLC.

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“…Under these conditions only nnn and tnn interactions are possible and for this kind of materials antiferromagnetic transitions are observed below 30 K: Sr 2 MnTeO 6 [37], LaSrMnNbO 6 [38], La 2 CoTiO 6 and La 2 NiTiO 6 [39], LaBaTaNiO 6 and LaBaTaCoO 6 [40], LaPbM SbO 6 where M¼Mn, Co and Ni [41], among others.…”

Section: Tablementioning

confidence: 99%

Synthesis and structural and magnetic characterization of the frustrated magnetic system La2Ni4/3−Co Sb2/3O6

Franco

Carbonio

Nieva

2013

Journal of Solid State Chemistry

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B-site ordered perovskite LaSrMnNbO6: Synthesis, structure and antiferromagnetism

Cited by 15 publications

References 19 publications

Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal

Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal

Lanthanide contraction effect on crystal structures, magnetic, and dielectric properties in ordered double perovskites LnPbCoSbO6 (Ln = La, Pr, Nd)

Synthesis and structural and magnetic characterization of the frustrated magnetic system La2Ni4/3−Co Sb2/3O6

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