Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8

Rickert, Karl; Pozzi, Eric A.; Khanal, Rabi; Onoue, Masatoshi; Trimarchi, Giancarlo; Medvedeva, Julia E.; Hersam, Mark C.; Duyne, Richard P. Van; Poeppelmeier, Kenneth R.

doi:10.1021/acs.inorgchem.5b00853

Cited by 6 publications

(6 citation statements)

References 46 publications

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“…It should also be noted that although the calculated magnetic moment of Mn is close to the experimental value, it is still smaller than 4.7 μ B /Mn refined from NPD even at the FLL. This reduction is also known from other oxides containing Mn 2+ , appearing at first sight to be due to hybridization effects [57]. In this context, it should also be noted that the correlation and screening as in the LSDA+U were considered in the static limit.…”

Section: Electronic Structurementioning

confidence: 66%

Magnetic structure and spin correlations in magnetoelectric honeycomb Mn4Ta2O9

et al. 2018

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We elucidate the magnetic interactions and the role of spin (electron) correlation in determining the ground state of the honeycomb compound Mn 4 Ta 2 O 9 , by neutron powder diffraction, inelastic neutron scattering (INS), specific-heat (C P) measurements, and electronic-structure calculations. The antiferromagnetic long-range order with moments along c occurs at 102 K with strong exchange striction and small anisotropy. It is described by the three-dimensional Ising model. Diffuse magnetic scattering has been observed above T N , which is attributed to the two-dimensional spin correlations within the Mn 2+ honeycombs. This is confirmed by the calculated exchange constants. INS experiments and spin-wave simulations together with C P measurements reveal two gapped modes on the ab plane, originating from the rotation of the spins away from the easy axis c. The magnetic anisotropy is mainly determined by an electron-correlation-assisted dipole-dipole interaction. This work provides insight into the competing origins of the magnetic anisotropy, which leads to different magnetic ground states in the family of honeycomb compounds.

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Section: Electronic Structurementioning

confidence: 66%

Magnetic structure and spin correlations in magnetoelectric honeycomb Mn4Ta2O9

et al. 2018

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“…Stoichiometric amounts of Mn 3 O 4 (99.9%) and Ta 2 O 5 (99.9%) were mixed, pelletized, put into an alumina boat, and then heated at 1150–1250 °C, in flowing Ar–H 2 (3%) gas, for 24 h. The resulting polycrystalline powders were hydrostatically pressed into a cylindrical rod with a typical length of about 8 cm and a diameter of 7 mm. The polycrystalline rods were then heated at 1250 °C, in flowing Ar–H 2 (3%) gas, for 24 h. The resulting sintered rods were used as feed rods for single-crystal growth by the floating-zone method using a halogen-lamp image furnace . Single-crystal growth was conducted in flowing pure Ar gas.…”

Section: Methodsmentioning

confidence: 99%

Coexistence of Magnetoelectric and Antiferroelectric-like Orders in Mn₃Ta₂O₈

et al. 2021

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In materials showing a linear magnetoelectric (ME) effect, unconventional functionalities can be anticipated such as electric control of magnetism and nonreciprocal optical responses. Thus, the search for new linear ME materials is of interest in materials science. Here, using a recently proposed design principle of linear ME materials, which is based on the combination of local structural asymmetry and collinear antiferromagnetism, we demonstrate that an anion-deficient fluorite derivative, Mn 3 Ta 2 O 8 , is a new linear ME material. This is evidenced by the onset of magnetic-fieldinduced electric polarization in its collinear antiferromagnetic phase below T N = 24 K. Furthermore, we also find an antiferroelectric-like phase transition at T S = 55 K, which is attributable to an off-center displacement of magnetic Mn 2+ ions. The present study shows that Mn 3 Ta 2 O 8 is a rare material that exhibits both ME and antiferroelectric-like transitions. Thus, Mn 3 Ta 2 O 8 may provide an opportunity to investigate the physics associated with complicated interactions between magnetic (spin) and electric dipole degrees of freedom.

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“…8 A similar property site dependence has previously been reported for Mn 3 Ta 2 O 8 , which is isostructural with GITO, as the electronic transitions across the band gap are governed by the 4-and 7-coordinate sites. 39 Oddly, the differing oversaturation behavior of Ti does not appear to be reflected in the conductivity. There is a noteworthy increase in conductivity after the 400 °C reduction for x = 0.4 for M = Zr and Hf that would correspond to the first formation of the In antisite, but the lack of a corresponding increase in either of the other conductivity sets suggests this may not be significant.…”

Section: Introductionmentioning

confidence: 98%

Site Dependency of the High Conductivity of Ga₂In₆Sn₂O₁₆: The Role of the 7-Coordinate Site

Rickert¹,

Huq

Lapidus

et al. 2015

Chem. Mater.

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The 6-coordinated cation site is the fundamental building block of the most effective transparent conducting oxides. Ga 2 In 6 Sn 2 O 16 , however, maintains 4-, 6-, 7-, and 8-coordinated cation sites and still exhibits desirable transparency and high conductivity. To investigate the potential impact of these alternative sites, we partially replace the Sn in Ga 2 In 6 Sn 2 O 16 with Ti, Zr, or Hf and use a combined approach of density functional theory-based calculations, X-ray diffraction, and neutron diffraction to establish that the substitution occurs preferentially on the 7-coordinate site. In contrast to Sn, the empty d orbitals of Ti, Zr, and Hf promote spd covalency with the surrounding oxygen, which decreases the conductivity. Pairing the substitutional site preference with the magnitude of this decrease demonstrates that the 7-coordinate site is the major contributor to conductivity. The optical band gaps, in contrast, are shown to be site-independent and composition-dependent. After all 7coordinate Sn has been replaced, the continued substitution of Sn results in the formation of a 7-coordinate In antisite or replacement of 6-coordinate Sn, depending on the identity of the d 0 substitute.

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Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn₃Ta₂O₈

Cited by 6 publications

References 46 publications

Magnetic structure and spin correlations in magnetoelectric honeycomb Mn4Ta2O9

Magnetic structure and spin correlations in magnetoelectric honeycomb Mn4Ta2O9

Coexistence of Magnetoelectric and Antiferroelectric-like Orders in Mn₃Ta₂O₈

Site Dependency of the High Conductivity of Ga₂In₆Sn₂O₁₆: The Role of the 7-Coordinate Site

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Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8

Cited by 6 publications

References 46 publications

Magnetic structure and spin correlations in magnetoelectric honeycomb Mn4Ta2O9

Magnetic structure and spin correlations in magnetoelectric honeycomb Mn4Ta2O9

Coexistence of Magnetoelectric and Antiferroelectric-like Orders in Mn3Ta2O8

Site Dependency of the High Conductivity of Ga2In6Sn2O16: The Role of the 7-Coordinate Site

Contact Info

Product

Resources

About

Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn₃Ta₂O₈

Coexistence of Magnetoelectric and Antiferroelectric-like Orders in Mn₃Ta₂O₈

Site Dependency of the High Conductivity of Ga₂In₆Sn₂O₁₆: The Role of the 7-Coordinate Site