Spin state and orbital ordering in CuCr<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>4</mml:mn></mml:msub></mml:math>investigated by NMR

Jo, Euna; Kang, Bo Gyeong; Kim, Chang-Soo; Kwon, Sangil; Lee, Soonchil

doi:10.1103/physrevb.88.094417

Cited by 8 publications

(5 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The total magnetic moment of atoms calculated from GGA-PBE and LDA-CA is presented in Table 3. The values of the magnetic moment obtained by the present calculation are slightly higher than the experimental ones [5].…”

Section: Electronic and Magnetic Propertiescontrasting

confidence: 69%

“…Several studies on ACr2O4 spinel oxides have been reported in literature [1,3,4]. Ternary normal spinels with stoichiometric composition A 2+ Cr 3+ 2O4 are typical candidates for studying the magnetic properties of frustrated systems [2,[5][6][7][8]. The cations of Cr 3+ at the B site are octahedrally coordinated and form a pyrochlore-type lattice, one of the strongest contenders of geometric frustration in three dimensions [8], while the A-site cations are tetrahedrally coordinated, constituting a diamond-type lattice with tetrahedral oxygen environment [8][9][10].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Theoretical Study of the Spinel Structure of CuCr2O4 in the Tetragonal Phase Using Density Functional Theory

Bencheikh¹,

Belakroum²

2022

J. Nano- Electron. Phys.

View full text Add to dashboard Cite

We report a detailed theoretical study of ternary spinel oxides CuCr2O4 with tetragonal I41/amd structures by means of density functional theory (DFT). The calculations were performed using two approximations to DFT, namely, the local density approximation (LDA) and the generalized gradient approximation (GGA), both in the spin-polarized version. For LDA, we used the Ceperley-Alder exchange-correlation potential, whereas for the GGA calculations, we used the Perdew-Burke-Ernzerhof (PBE) scheme. We optimized the crystal structures using a pseudopotential plane wave method and analyzed on the basis of the density of states (DOS), partial density of states (PDOS), and electronic band structure. Indeed, it is a useful method to predict the crystal structures of CuCr2O4. The PDOS of Cu, Cr, and O revealed that the Cr cation is the dominant source to study the magnetic properties of CuCr2O4. Spin polarization calculations performed for CuCr2O4, and DOS show that there is a large spin splitting between the spin up down channels near the Fermi level, confirming p-d hybridization. The theoretical calculated magnetic moment is slightly higher than the experimental results. It was concluded that the optimized GGA lattice parameter agrees much better with the experimental findings than the LDA one. The valence and conduction bands overlapped each other at the Fermi level, indicating the metallic nature of CuCr2O4. The charge density difference maps indicate that Cu-Cr bonds are stronger than Cu-O. The obtained results were compared with experimental values and a good agreement with them was found. The results of the present study could be used in a future analysis of thermodynamical, optical and elastic properties of this compound.

show abstract

Section: Electronic and Magnetic Propertiescontrasting

confidence: 69%

Section: Introductionmentioning

confidence: 99%

Theoretical Study of the Spinel Structure of CuCr2O4 in the Tetragonal Phase Using Density Functional Theory

Bencheikh¹,

Belakroum²

2022

J. Nano- Electron. Phys.

View full text Add to dashboard Cite

show abstract

“…The neutron scattering studies proposed a magnetic structure with a moment of 0.5 μ B per formula unit, where two canted Cr 3+ sublattices and one Cu 2+ sublattice were coupled antiferromagnetically below T N [18,23,24]. The 63,65 Cu and 53 Cr nuclear magnetic resonance studies further confirmed that the angle between the Cr 3+ and the Cu 2+ magnetic moments was found to be ≈98 • [5]. Furthermore, the spin-orbit coupling of Cr ions was proposed to be much stronger than that of Cu ions related to the orbital ordering in CuCr 2 O 4 .…”

Section: Introductionmentioning

confidence: 81%

“…One of the fascinating outcomes is the colossal magnetoresistance in the mixed-valent manganites [1,2]. Moreover, this intricate interplay gives rise to the diverse ranges of the interesting magnetic properties from the frustrated magnetism to the multiferroic properties [3][4][5][6][7][8]. In the above cases, the orbital ordering driven by the the Jahn-Teller (J-T) distortion has been found crucial, which was intimately correlated to the structural distortion and also, eventually, directed the magnetic properties.…”

Section: Introductionmentioning

confidence: 99%

Tuning of multiferroic order with Co doping in CuCr2O4 : Interplay between structure and orbital order

Chatterjee

Dey

Majumdar

et al. 2019

Phys. Rev. Materials

View full text Add to dashboard Cite

We observe a ferroelectric (FE) order in an unexplored CuCr 2 O 4 with a reasonably high value of the FE Curie temperature (T FE) at 170 K, which is also much higher than the magnetic ordering temperature. The systematic substitution of Jahn-Teller (J-T) active divalent Cu ion by a non-Jahn-Teller active divalent Co ion causes a systematic shift of T FE from 170 K for x = 0 to 146 K for x = 0.8 in Cu 1−x Co x Cr 2 O 4. The values of electric polarization vary from 0.0665 μC cm −2 to 0.1704 μC cm −2 , which is maximum for x = 0.6, associated with the highest value of the coercivity. The synchrotron diffraction studies of the compounds with x = 0.2 and 0.8 confirm that a structural transition to a polar Ima2 space group from the tetragonally distorted I4 1 /amd structure gives rise to the ferroelectricity. In all the members of Cu 1−x Co x Cr 2 O 4 series, the T FE is observed at much higher temperature than the corresponding magnetic ordering temperatures (T N). These results are in contrast to that of the reported results of T FE < T N for the end member with x = 1 or CoCr 2 O 4 , where the J-T active Cu 2+ is absent. We propose that the J-T distortion in the entire series with 0 x 0.8 holds the key, where interplay between the J-T distortion driven orbital order and the structural distortion correlates tuning of the T FE in Cu 1−x Co x Cr 2 O 4 .

show abstract

“…ii) If A 2+ ions are magnetic with spin only, such as MnCr 2 O 4 (S(Mn 2+ )=5/2), [13][14][15][16][17] and CoCr 2 O 4 (S(Co 2+ )=3/2), [13][14][15][16][17][18][19][20][21] the lattice remains cubic, with a paramagnetic-toferrimagnetic transition at high temperature, followed by a transition to spiral ordering at lower temperature due to weak magnetic geometrical frustration. iii) If A 2+ ions are magnetic with the orbital degree of freedom, such as FeCr 2 O 4 , 17,[20][21][22][23][24][25] NiCr 2 O 4 , 17,[21][22][23]26,27 and CuCr 2 O 4 , 17,21,22,[27][28][29] a cubic-tetragonal phase transition is observed at a higher temperature, followed by magnetic order, which indicates that the magnetic ordering is stabilized by reducing the lattice symmetry through a spin-lattice coupling. The long-range ordered collinear ferrimagnetic state can eventually evolve into different noncollinear ferrimagnetic states at a lower temperature, such as conical ordering in FeCr 2 O 4 and NiCr 2 O 4 , and Yafet-Kittel-type magnetic ordering in CuCr 2 O 4 .…”

Section: Introductionmentioning

confidence: 99%

Magnetic and Structural Phase Transitions in the Spinel Compound Fe1+xCr2-xO4

Ma,

Garlea,

Rondinone

et al. 2014

Preprint

View full text Add to dashboard Cite

Neutron and X-ray diffraction, magnetic susceptibility, and specific heat measurements have been used to investigate the magnetic and structural phase transitions of the spinel system Fe1+xCr2−xO4 (0.0 ≤ x ≤ 1.0). The temperature versus Fe concentration (x) phase diagram features two magnetically ordered states and four structural states below 420 K. The complexity of the phase diagram is closely related to the change in the spin and orbital degrees of freedom induced by substitution of Fe ions for Cr ions. The systematic change in the crystal structure is explained by the combined effects of Jahn-Teller distortion, spin-lattice interaction, Fe 2+ -Fe 3+ hopping, and disorder among Fe 2+ , Fe 3+ , and Cr 3+ ions.

show abstract

Spin state and orbital ordering in CuCr2O4investigated by NMR

Cited by 8 publications

References 17 publications

Theoretical Study of the Spinel Structure of CuCr2O4 in the Tetragonal Phase Using Density Functional Theory

Theoretical Study of the Spinel Structure of CuCr2O4 in the Tetragonal Phase Using Density Functional Theory

Tuning of multiferroic order with Co doping in CuCr2O4 : Interplay between structure and orbital order

Magnetic and Structural Phase Transitions in the Spinel Compound Fe1+xCr2-xO4

Contact Info

Product

Resources

About