2017
DOI: 10.1103/physrevb.96.035138
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Effect of frustrated exchange interactions and spin-half-impurity on the electronic structure of strongly correlatedNiFe2O4

Abstract: Spin-polarized density functional calculations, magnetization, and neutron diffraction (ND) measurements are carried out to investigate the magnetic exchange interactions and strong correlation effects in Yb substituted inverse spinel nickel ferrite. In the pristine form, the compound is found to be a mixed insulator under the Zaanen-Sawatzky-Allen classification scheme as it features both charge transfer and Mott insulator mechanism. Estimation of magnetic exchange couplings reveals that both octahedral-octah… Show more

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Cited by 28 publications
(14 citation statements)
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“…15 The neutron diffraction study also confirms the collinear ferrimagnetic order at room temperature. 16,17 * Electronic address: sspsg2@iacs.res.in Plenty of works were performed on the doping effect of NFO, which significantly influenced the magnetic, electronic, and structural properties. 15,[18][19][20][21][22][23][24][25][26] Nanoscale properties of NFO have been investigated providing rich consequences in the magnetic and dielectric properties for the nanoparticles [27][28][29][30][31][32][33] and films.…”
Section: Introductionmentioning
confidence: 99%
“…15 The neutron diffraction study also confirms the collinear ferrimagnetic order at room temperature. 16,17 * Electronic address: sspsg2@iacs.res.in Plenty of works were performed on the doping effect of NFO, which significantly influenced the magnetic, electronic, and structural properties. 15,[18][19][20][21][22][23][24][25][26] Nanoscale properties of NFO have been investigated providing rich consequences in the magnetic and dielectric properties for the nanoparticles [27][28][29][30][31][32][33] and films.…”
Section: Introductionmentioning
confidence: 99%
“…We obtained the values of V BA (Ti 2+ ) in the tting process, and they increased from 1.093 eV (x ¼ 0.0) to 1.880 eV (x ¼ 0.4) for the Co-series and from 0.896 eV (x ¼ 0.0) to 1.140 eV (x ¼ 0.3) for the Mn-series. The values of V BA (Fe 2+ ), V BA (Co 2+ ), and V BA (Mn 2+ ) were calculated from eqn (2) and 3, and they appear reasonable in the context of a physics problem.…”
Section: Fitting Parametersmentioning
confidence: 68%
“…Spinel ferrites have received much attention in recent years because of their application in spintronics and multiferroics. [1][2][3][4][5][6][7] In a (A)[B] 2 O 4 spinel ferrite, each unit cell contains eight formula units, in which the 32 larger oxygen anions form a close-packed face-centered-cubic structure with the 24 smaller metal cations occupying two types of interstitial position: the tetrahedral (8a) or (A) sites and the octahedral (16d) or [B] sites, [8][9][10][11] which form the (A) and [B] sublattices.…”
Section: Introductionmentioning
confidence: 99%
“…For example, in the case of NiFe 2 O 4 , there are three complexes: NiO 6 , FeO 6 and FeO 4 . The electronic structure calculations [62] show that each metal-oxygen complex retains its individual characteristics, except that the FeO 4 local spin moment is antiferromagnetically coupled to the NiO 6 and FeO 6 local spin moments. Similar is the case of ferromagnetic insulator LaCoMnO 6 [63],where MnO 6 octahedra has a d 3 configuration and its electronic structure resembles to that of VO [Fig.…”
Section: Summary Of the Dft Resultsmentioning
confidence: 97%
“…mains HS magnetic insulator as in case of NiFe 2 O 4 [62]. Irrespective of LS or HS configuration, the tetrahedral d 6 system exhibits high DOS at E F and hence prone to structural distortion to create MIT.…”
Section: B Electronic and Magnetic Structure Of Tetrahedral 3d Tmosmentioning
confidence: 99%