Small crystal distortion and long-range antiferro-orbital ordering in the spinel oxide 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Co</mml:mi><mml:msub><mml:mi mathvariant="normal">V</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>

Ishibashi, Hiroki; Shimono, Seiya; Tomiyasu, Keisuke; Lee, Sanghyun; Kawaguchi, Shogo; Iwane, Hiroki; Nakao, Hironori; Torii, Shuki; Kamiyama, Takashi; Kubota, Y.

doi:10.1103/physrevb.96.144424

Cited by 16 publications

(31 citation statements)

References 54 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The magnetic representation in this case corresponds to Shubnikov space group I4 1 /am ′ d ′ (representation mGM4+) [37,38]. This picture is consistent with observations of other spinel vanadates [10,13] as well as recommendations made for magnetic interactions in Co 2 VO 4 [18]. Table I lists |F hkl | 2 for prominent magnetic reflections calculated using these basis vectors.…”

Section: Site Irrepsupporting

confidence: 84%

“…, where Co 2+ occupies the A -site and the remaining Co 2+ and V 4+ are distributed evenly in the B site. Unlike the common spinel counterparts [10,13], we find no structural transitions in Co 2 VO 4 at all measured temperatures. Nonetheless, we observed an insignificant shrinking of the unit-cell that appears to saturate at ≈ 65 K.…”

Section: Experimental and Computational Detailscontrasting

confidence: 77%

“…(not shown), which is lower than that of CoV 2 O 4 [35]. CoV 2 O 4 [13]. This indicates the reduced magnetization in Co 2 VO 4 is due to antiparallel Co A and Co B /V B (ferrimagnetic) assuming high spin configuration S = 3/2, for Co 2+ and S = 1/2 for V B implying an oxidation state of 4+ for V. As discussed below, DFT calculations confirm the valence states of Co B and V B as well their magnetic ordering in the localized solution.…”

Section: Resultsmentioning

confidence: 71%

“…For AV 2 O 4 with a non-magnetic transition metal ion, such as Mg 2+ or Zn 2+ in the A-site, a cubic-to-tetragonal phase transition accompanied by an antiferromagnetic phase have been reported [8,9]. On the other hand, magnetic ions on the A-site, such as in MnV 2 O 4 , FeV 2 O 4 , CoV 2 O 4 , show a multitude of structural and magnetic transitions by virtue of coupled spin-and orbital-degrees of freedom [10][11][12][13][14]. Specifically, for CoV 2 O 4 , orbital glass-like behavior has been reported [15,16] and spin-ice rules have been outlined in studies of MnV 2 O 4 and FeV 2 O 4 [10,11].…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Kademane¹,

Bhandari²,

Paudyal³

et al. 2021

Preprint

View full text Add to dashboard Cite

Neutron diffraction, magnetization and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal (MR) in inverse spinel Co2VO4. All measurements show a second order magnetic phase transition at TC = 168 K to a collinear ferrimagnetic phase. The DFT results suggest the moments in the ferrimagnetic phase are delocalized and undergo gradual localization as the temperature is lowered below TC. The delocalized-localized crossover gives rise to a maximum magnetization at TNC = 138 K and the continuous decrease in magnetization produces sign-change at TMR ∼ 65 K. Muon spectroscopy results support the DFT, as a strong T1-relaxation is observed around TNC, indicating highly delocalized spin-carriers gradually tend to localization upon cooling. The magnetization reversal determined at zero field is found to be highly sensitive to applied magnetic field, such that above B ∼ 0.25 T instead of a reversal a broad minimum in the magnetization is apparent at TMR. Analysis of the neutron diffraction measurements shows two antiparallel magnetic sublattice-structure, each belonging to magnetic ions on two distinct crystal lattice sites. The relative balance of these two structural components in essence determines the magnetization. Indeed, the order parameter of the magnetic phase on one site develops moderately more than that on the other site. Unusual tipping of the magnetic balance, caused by such site-specific magnetic fluctuation, gives rise to a spontaneous flipping of the magnetization as the temperature is lowered. * A.B.K and C.B contributed equally.[1] M. Néel, Propriétés magnétiques des ferrites ; ferrimagnétisme et antiferromagnétisme, Annales De Physique 12, 137 (1948). [2] Y. Yafet and C. Kittel, Antiferromagnetic arrangements in ferrites, Physical Review 87, 290 (1952).

show abstract

Section: Site Irrepsupporting

confidence: 84%

Section: Experimental and Computational Detailscontrasting

confidence: 77%

Section: Resultsmentioning

confidence: 71%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Kademane¹,

Bhandari²,

Paudyal³

et al. 2021

Preprint

View full text Add to dashboard Cite

show abstract

“…Further, from the dielectric measurements, the authors proposed an orbital glassy state to be present at low temperatures. From another recent high resolution neutron powder diffraction measurement a very small tetragonal distortion (1 − c/a < 0.06%) has been captured in CoV 2 O 4 at 95 K and on further lowering of temperature, a change in the tetragonal symmetry from I4 1 /amd to I4 1 /a was observed at 59K via single crystal synchrotron radiation measurement 14 . Further analysis has led the authors to propose an anti-ferro orbitally ordered state below 59K.…”

Section: Introductionmentioning

confidence: 97%

Orbital order and electron itinerancy in CoV₂O₄ and Mn_0.5Co_0.5V₂O₄ from first principles

Krishna¹,

Maitra²

2020

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

In view of the recent experimental predictions of a weak structural transition in CoV2O4 we explore the possible orbital order states in its low temperature tetragonal phases from first principles density functional theory calculations. We observe that the tetragonal phase with I41/amd symmetry is associated with an orbital order involving complex orbitals with a reasonably large orbital moment at Vanadium sites while in the phase with I41/a symmetry, the real orbitals with quenched orbital moment constitute the orbital order. Further, to study the competition between orbital order and electron itinerancy we considered Mn0.5Co0.5V2O4 as one of the parent compounds, CoV2O4, lies near itinerant limit while the other, MnV2O4, lies deep inside the orbitally ordered insulating regime. Orbital order and electron transport have been investigated using first principles density functional theory and Boltzmann transport theory in CoV2O4, MnV2O4 and Mn0.5Co0.5V2O4. Our results show that as we go from MnV2O4 to CoV2O4 there is enhancement in the electron's itinerancy while the nature of orbital order remains unchanged.

show abstract

Spin reorientation in CoV2O4 thin film: A first principles study

Sharma

Krishna

Maitra

2022

Computational Materials Science

View full text Add to dashboard Cite

Small crystal distortion and long-range antiferro-orbital ordering in the spinel oxide CoV2O4

Cited by 16 publications

References 54 publications

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Orbital order and electron itinerancy in CoV₂O₄ and Mn_0.5Co_0.5V₂O₄ from first principles

Spin reorientation in CoV2O4 thin film: A first principles study

Contact Info

Product

Resources

About

Small crystal distortion and long-range antiferro-orbital ordering in the spinel oxide CoV2O4

Cited by 16 publications

References 54 publications

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Orbital order and electron itinerancy in CoV2O4 and Mn0.5Co0.5V2O4 from first principles

Spin reorientation in CoV2O4 thin film: A first principles study

Contact Info

Product

Resources

About

Orbital order and electron itinerancy in CoV₂O₄ and Mn_0.5Co_0.5V₂O₄ from first principles