Room-temperature ferrimagnetism of anti-site-disordered 
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Feng, Hai L.; Ghimire, Madhav Prasad; Hu, Zhiwei; Liao, Shu-Hsien; Agrestini, S.; Chen, Jie; Yuan, Yahua; Matsushita, Yoshitaka; Tsujimoto, Yoshihiro; Katsuya, Yoshio; Tanaka, Masahiko; Lin, Hong Ji; Chen, Chien Te; Weng, Shih Chang; Valvidares, Manuel; Chen, Kai; Baudelet, F.; Tanaka, A.; Greenblatt, Martha; Tjeng, L. H.; Yamaura, Kazunari

doi:10.1103/physrevmaterials.3.124404

Cited by 19 publications

(8 citation statements)

References 68 publications

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“…To consider the strong correlation effects, GGA+U functional with double-counting corrections according to Anisimov et al [27] was used. The chosen values of U were 6 eV for Tb-4 f , 5 eV for Fe-3d, and 3 eV for Cr-3d states, which are comparable to the values found in literature [28][29][30][31][32][33]. Calculations were performed using the lattice parameters obtained from neutron-diffraction data at 7.7 K (see Table I).…”

Section: B Computational Detailsmentioning

confidence: 83%

Re-entrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe0.5Cr0.5O3

et al. 2020

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The perovskite TbFe 0.5 Cr 0.5 O 3 shows two anomalies in its magnetic susceptibility at T N = 257 K and T SR = 190 K which are, respectively, the antiferromagnetic and spin-reorientation transition that occur in the Fe/Cr sublattice. Magnetic susceptibility of this compound reveals canonical signatures of a Griffiths-like phase: a negative deviation from the ideal Curie-Weiss law and in less-than-unity power-law susceptibility exponents. Neutron-diffraction data analysis confirms two spin-reorientation transitions in this compound. The first one from 2 (C x , G y , F z ) to 4 (A x , F y , G z ) occurs at T N = 257 K and a second one from 4 (A x , F y , G z ) to 2 (C x , G y , F z ) at T SR = 190 K in the Pnma space-group setting. The 2 (C x , G y , F z ) structure is stable down to 7.7 K, leading to an ordered moment of 3.34(1) μ B /Fe 3+ (Cr 3+ ). In addition to the long-range magnetic order, experimental indication of diffuse magnetism is observed in neutron-diffraction data at 7.7 K. Tb develops a ferromagnetic component along the z axis at 20 K. Thermal conductivity and spin-phonon coupling of TbFe 0.5 Cr 0.5 O 3 studied through Raman spectroscopy are also presented in the paper. The magnetic anomalies at T N and T SR do not appear in the thermal conductivity of TbFe 0.5 Cr 0.5 O 3 , which appears to be robust up to 9 T. On the other hand, they are revealed in the temperature dependence of full-width-at-half-maximum curves derived from Raman intensities. An antiferromagnetic structure with ↑↓↑↓ arrangement of Fe/Cr spins is found as the ground state through first-principles energy calculations, supporting the experimentally determined magnetic structure at 7.7 K. The spin-resolved total and partial density of states show that TbFe 0.5 Cr 0.5 O 3 is insulating with a band gap of ∼0.12 (2.4) eV within GGA (GGA+U ) functionals.

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Section: B Computational Detailsmentioning

confidence: 83%

Re-entrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe0.5Cr0.5O3

et al. 2020

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“…In order to consider the strong correlation effects, GGA+U functional with double-counting corrections according to Anisimov et al [27] was used. The chosen values of U were 6 eV for Tb-4f , 5 eV for Fe-3d, and 3 eV for Cr-3d states, which are comparable to the values found in literature [28][29][30][31][32][33]. Calculations were performed using the lattice parameters obtained from neutron diffraction data at 7.7 K (see Table I).…”

Section: Computational Detailsmentioning

confidence: 87%

Reentrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe$_{0.5}$Cr$_{0.5}$O$_3$

Mali,

Nair,

Heitmann

et al. 2020

Preprint

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The perovskite TbFe0.5Cr0.5O3 shows two anomalies in the magnetic susceptibility at TN = 257 K and TSR = 190 K which are respectively, the antiferromagnetic and spin reorientation transition that occur in the Fe/Cr sublattice. Analysis of the magnetic susceptibility reveals signatures of Griffiths-like phase in this compound: the negative deviation from ideal Curie-Weiss law and in less-than-unity power-law susceptibility exponents. Neutron diffraction analysis confirms that, as the temperature is reduced from 350 K, a spin reorientation transition from Γ2 (Fx, Cy, Gz) to Γ4 (Gx, Ay, Fz) occurs at TN = 257 K and subsequently, a second spin reorientation takes place from Γ4 (Gx, Ay, Fz) to Γ2 (Fx, Cy, Gz) at TSR = 190 K. The Γ2 (Fx, Cy, Gz) structure is stable until 7.7 K where an ordered moment of 7.74(1)µB/Fe 3+ (Cr 3+ ) is obtained from neutron data refinement. In addition to the long-range order of the magnetic structure, indication of diffuse magnetic scattering at 7.7 K is evident, thereby lending support to the Griffiths-like phase observed in susceptibility. At 7.7 K, Tb develops a ferromagnetic component along the crystallographic a axis. Thermal conductivity, and spin-phonon coupling of TbFe0.5Cr0.5O3 through Raman spectroscopy are studied in the present work. The magnetic anomalies at TN and TSR do not reflect in the thermal conductivity data of TbFe0.5Cr0.5O3; however, it is noticeable that the application of 9 T magnetic field has no effect on the thermal conductivity. The TN and TSR are revealed in the temperature-dependence of full-width-at-half-maximum curves obtained from Raman intensities. An antiferromagnetic structure with (↑↓↑↓) arrangement of Fe/Cr spins is found in the ground state through first-principles energy calculations which supports the experimental magnetic structure at 7.7 K. The spin-resolved total and partial density of states are determined showing that TbFe0.5Cr0.5O3 is insulating with a band gap of ∼ 0.12 (2.4) eV within GGA (GGA+U ) functionals

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“…49 The standard generalized gradient approximation (PBE-GGA) 50 was used, incorporating U of 4 eV for Cr (Ni) and 1.5 eV for Os. [35][36][37] The SOC was included via the second variational step. 51 The magnetic anisotropy energy (MAE) was calculated by self consistent calculations in full relativistic mode considering ve different orientations of the magnetization.…”

Section: Crystal Structures and Computational Detailsmentioning

confidence: 99%

“…30) and a transition to FiM was observed at 725 K. 31 Similarly, Ca 2 MOsO 6 (where M ¼ Mn, Fe, Co, and Ni) displays a FiM state with Curie temperature (T C ) of 305, 320, 145, and 175 K, respectively. [32][33][34][35] From density functional theory (DFT) calculations, PrSrMgIrO 6 was predicted to be an HMAFM with nearly zero effective magnetic moment per unit cell due to the combined effect of Coulomb correlation, U, and SOC. 11 A few DPs such as Ca 2 MgOsO 6 , and Sr 2 MgOsO 6 have nite gaps at the Fermi level (E F ) due to the correlation effect and are reported to be AFM Mott insulators, 36 while Sr 2 NiOsO 6 , Sr 2 FeOsO 6 , Sr 2 -NiRuO 6 , and SrLaBB 0 O 6 (B ¼ Ni, Fe; B 0 ¼ Os, Ru) 37,38 show Mott insulating states under the combined effect of U and SOC.…”

Section: Introductionmentioning

confidence: 99%

Electronic, magnetic, optical and thermoelectric properties of Ca₂Cr_1−xNi_xOsO₆ double perovskites

Bhandari

Yadav²,

Belbase

et al. 2020

RSC Adv.

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Room-temperature ferrimagnetism of anti-site-disordered Ca2MnOsO6

Cited by 19 publications

References 68 publications

Re-entrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe0.5Cr0.5O3

Re-entrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe0.5Cr0.5O3

Reentrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe$_{0.5}$Cr$_{0.5}$O$_3$

Electronic, magnetic, optical and thermoelectric properties of Ca₂Cr_1−xNi_xOsO₆ double perovskites

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Room-temperature ferrimagnetism of anti-site-disordered Ca2MnOsO6

Cited by 19 publications

References 68 publications

Re-entrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe0.5Cr0.5O3

Re-entrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe0.5Cr0.5O3

Reentrant spin reorientation transition and Griffiths-like phase in antiferromagnetic TbFe$_{0.5}$Cr$_{0.5}$O$_3$

Electronic, magnetic, optical and thermoelectric properties of Ca2Cr1−xNixOsO6 double perovskites

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Electronic, magnetic, optical and thermoelectric properties of Ca₂Cr_1−xNi_xOsO₆ double perovskites