Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co2VO4

Kademane, Abhijit Bhat; Bhandari, Churna; Paudyal, Durga; Cottrell, Stephen; Das, Pinaki; Liu, Yong; Yiu, Yuen; Kumar, C. Naveen; Siemensmeyer, Konrad; Hoser, Andreas; Quintero-Castro, Diana Lucia; Vaknin, David; Toft-Petersen, Rasmus

doi:10.1103/physrevb.105.094408

Title: Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co 2 VO 4

Abstract

Neutron diffraction, magnetization, and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal in inverse spinel Co₂VO₄. All measurements show a second-order magnetic phase transition at T_C = 168 K to a collinear ferrimagnetic phase. Neutron diffraction measurements reveal two antiparallel ferromagnetic (FM) sublattices, belonging to magnetic ions on two distinct crystal lattice sites, where the relative balance between the two sublattices determine the net FM moment in the unit cell. As the evolution of the ordered moment with temperature differs between the two sublattices, the net magnetic moment reaches a maximum at T_NC = 138 K and reverses its sign at T_MR = 65 K. The DFT results suggest that the underlying microscopic mechanism for the reversal is a delocalization of the unfilled 3d -shell electrons on one sublattice just below T_C, followed by a gradual localization as the temperature is lowered. Furthermore, this delocalized-localized crossover is supported by muon spectroscopy results, as strong T₁ relaxation observed below T_C indicates fluctuating internal fields.

Authors:

^[1];

^[2];

^[2]; Cottrell, Stephen ^[3]; Das, Pinaki ^[2];

^[2]; Yiu, Yuen ^[2];

^[4];

^[5]; Hoser, Andreas ^[5]; Quintero-Castro, Diana Lucia ^[1];

^[2];

^[6]

Univ. i Stavanger (Norway)
Ames Lab., and Iowa State Univ., Ames, IA (United States)
STFC Rutherford Appleton Lab., Oxon (United Kingdom)
Vienna Univ. of Technology (Austria); AGH Univ. of Science and Technology, Krakow (Poland)
Helmholtz Zentrum Berlin für Materialien und Energie, Berlin (Germany)
Technical Univ. of Denmark, Lyngby (Denmark); European Spallation Source, Lund (Sweden)

Publication Date:: Mon Mar 07 00:00:00 EST 2022

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

OSTI Identifier:: 1875272

Report Number(s):: IS-J 10,743
Journal ID: ISSN 2469-9950; TRN: US2307180

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B

Additional Journal Information:: Journal Volume: 105; Journal Issue: 9; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Density of states; Ferrimagnetism; Metal-insulator transition; Oxides; Spinels; Density functional calculations; Magnetization measurements; Muon spin relaxation & rotation; Neutron scattering

Citation Formats


                    Kademane, Abhijit Bhat, Bhandari, Churna, Paudyal, Durga, Cottrell, Stephen, Das, Pinaki, Liu, Yong, Yiu, Yuen, Kumar, C. Naveen, Siemensmeyer, Konrad, Hoser, Andreas, Quintero-Castro, Diana Lucia, Vaknin, David, and Toft-Petersen, Rasmus. Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co2VO4.  United States: N. p., 2022. 
Web.  doi:10.1103/physrevb.105.094408.

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                    Kademane, Abhijit Bhat, Bhandari, Churna, Paudyal, Durga, Cottrell, Stephen, Das, Pinaki, Liu, Yong, Yiu, Yuen, Kumar, C. Naveen, Siemensmeyer, Konrad, Hoser, Andreas, Quintero-Castro, Diana Lucia, Vaknin, David, & Toft-Petersen, Rasmus. Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co2VO4.  United States.  https://doi.org/10.1103/physrevb.105.094408

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                    Kademane, Abhijit Bhat, Bhandari, Churna, Paudyal, Durga, Cottrell, Stephen, Das, Pinaki, Liu, Yong, Yiu, Yuen, Kumar, C. Naveen, Siemensmeyer, Konrad, Hoser, Andreas, Quintero-Castro, Diana Lucia, Vaknin, David, and Toft-Petersen, Rasmus. Mon .  
"Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co2VO4".  United States.  https://doi.org/10.1103/physrevb.105.094408.  https://www.osti.gov/servlets/purl/1875272.

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@article{osti_1875272,

  title        = {Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co2VO4},

  author       = {Kademane, Abhijit Bhat and Bhandari, Churna and Paudyal, Durga and Cottrell, Stephen and Das, Pinaki and Liu, Yong and Yiu, Yuen and Kumar, C. Naveen and Siemensmeyer, Konrad and Hoser, Andreas and Quintero-Castro, Diana Lucia and Vaknin, David and Toft-Petersen, Rasmus},

  abstractNote = {Neutron diffraction, magnetization, and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal in inverse spinel Co2VO4. All measurements show a second-order magnetic phase transition at TC = 168 K to a collinear ferrimagnetic phase. Neutron diffraction measurements reveal two antiparallel ferromagnetic (FM) sublattices, belonging to magnetic ions on two distinct crystal lattice sites, where the relative balance between the two sublattices determine the net FM moment in the unit cell. As the evolution of the ordered moment with temperature differs between the two sublattices, the net magnetic moment reaches a maximum at TNC = 138 K and reverses its sign at TMR = 65 K. The DFT results suggest that the underlying microscopic mechanism for the reversal is a delocalization of the unfilled 3d -shell electrons on one sublattice just below TC, followed by a gradual localization as the temperature is lowered. Furthermore, this delocalized-localized crossover is supported by muon spectroscopy results, as strong T1 relaxation observed below TC indicates fluctuating internal fields.},

  doi          = {10.1103/physrevb.105.094408},

  journal      = {Physical Review. B},

  number       = 9,

  volume       = 105,

  place        = {United States},

  year         = {Mon Mar 07 00:00:00 EST 2022},

  month        = {Mon Mar 07 00:00:00 EST 2022}

}

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Title: Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co 2 VO 4

Abstract

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Magnetic Reversal of the Ferroelectric Polarization in a Multiferroic Spinel Oxide
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From ultrasoft pseudopotentials to the projector augmented-wave method
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Optimizations in angular dispersive neutron powder diffraction using divergent beam geometries
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E9: The Fine Resolution Powder Diffractometer (FIREPOD) at BER II
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Muon spin rotation and neutron scattering investigations of the $B$ -site ordered double perovskite $S r_{2} DyRu O_{6}$
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Suggestion Concerning Magnetic Interactions in Spinels
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The phenomenon of negative magnetization and its implications
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Optimising a muon spectrometer for measurements at the ISIS pulsed muon source
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