Tuning the Magnetic Exchange via a Control of Orbital Hybridization in Cr2(Te1-xWx)O6

Zhu, M.; Do, D.; Dela Cruz, C. R.; Dun, Z.; Zhou, H. D.; Mahanti, S. D.; Ke, X.

doi:10.1103/PhysRevLett.113.076406

Title: Tuning the Magnetic Exchange via a Control of Orbital Hybridization in ${Cr}_{2} ({Te}_{1 - x} W_{x}) O_{6}$

Abstract

Here, we report the complex magnetic phase diagram and electronic structure of Cr₂ ( Te_1-xW_x) O₆ systems. While compounds with different x values possess the same crystal structure, they display different magnetic structures below and above x_c = 0.7 , where both the transition temperature T_N and sublattice magnetization (M_s) reach a minimum. Unlike many known cases where magnetic interactions are controlled either by injection of charge carriers or by structural distortion induced via chemical doping, in the present case it is achieved by tuning the orbital hybridization between Cr 3d and O 2p orbitals through W 5d states. The result is supported by ab initio electronic structure calculations. Through this concept, we introduce a new approach to tune magnetic and electronic properties via chemical doping.

Authors:: Zhu, M.; Do, D.; Dela Cruz, C. R.; Dun, Z.; Zhou, H. D.; Mahanti, S. D.; Ke, X.

Publication Date:: 2014-08-12

Research Org.:: Energy Frontier Research Centers (EFRC) (United States). Revolutionary Materials for Solid State Energy Conversion (RMSSEC)

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

OSTI Identifier:: 1370354

DOE Contract Number:: SC0001054

Resource Type:: Journal Article

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 113; Journal Issue: 7; Related Information: RMSSEC partners with Michigan State University (lead); University of California, Los Angeles; University of Michigan; Northwestern University; Oak Ridge National Laboratory; Ohio State University; Wayne State University; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Citation Formats


                    Zhu, M., Do, D., Dela Cruz, C. R., Dun, Z., Zhou, H. D., Mahanti, S. D., and Ke, X. Tuning the Magnetic Exchange via a Control of Orbital Hybridization in Cr2(Te1-xWx)O6.  United States: N. p., 2014. 
        Web.  doi:10.1103/PhysRevLett.113.076406.

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                    Zhu, M., Do, D., Dela Cruz, C. R., Dun, Z., Zhou, H. D., Mahanti, S. D., & Ke, X. Tuning the Magnetic Exchange via a Control of Orbital Hybridization in Cr2(Te1-xWx)O6.  United States.  https://doi.org/10.1103/PhysRevLett.113.076406

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                    Zhu, M., Do, D., Dela Cruz, C. R., Dun, Z., Zhou, H. D., Mahanti, S. D., and Ke, X. 2014.  
        "Tuning the Magnetic Exchange via a Control of Orbital Hybridization in Cr2(Te1-xWx)O6".  United States.  https://doi.org/10.1103/PhysRevLett.113.076406.

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@article{osti_1370354,

  title        = {Tuning the Magnetic Exchange via a Control of Orbital Hybridization in Cr2(Te1-xWx)O6},

  author       = {Zhu, M. and Do, D. and Dela Cruz, C. R. and Dun, Z. and Zhou, H. D. and Mahanti, S. D. and Ke, X.},

  abstractNote = {Here, we report the complex magnetic phase diagram and electronic structure of Cr2 ( Te1-xWx) O6 systems. While compounds with different x values possess the same crystal structure, they display different magnetic structures below and above xc = 0.7 , where both the transition temperature TN and sublattice magnetization (Ms) reach a minimum. Unlike many known cases where magnetic interactions are controlled either by injection of charge carriers or by structural distortion induced via chemical doping, in the present case it is achieved by tuning the orbital hybridization between Cr 3d and O 2p orbitals through W 5d states. The result is supported by ab initio electronic structure calculations. Through this concept, we introduce a new approach to tune magnetic and electronic properties via chemical doping.},

  doi          = {10.1103/PhysRevLett.113.076406},

  url          = {https://www.osti.gov/biblio/1370354},
  journal      = {Physical Review Letters},

  issn         = {0031-9007},

  number       = 7,

  volume       = 113,

  place        = {United States},

  year         = {2014},

  month        = {8}

}

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Similar Records

Title: Tuning the Magnetic Exchange via a Control of Orbital Hybridization in Cr 2 ( Te 1 - x W x ) O 6

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Structural and magnetic aspects of the metal-insulator transition in Ca 2 − x Sr x RuO 4 journal, April 2001

Superexchange interaction and symmetry properties of electron orbitals journal, July 1959

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Insulator-metal transition and giant magnetoresistance in La 1 − x Sr x MnO 3 journal, May 1995

Magnetic Phase Transitions in Inverse Trirutile-Type Compounds journal, May 1994

Ab initiomolecular dynamics for liquid metals journal, January 1993

Density-functional theory and NiO photoemission spectra journal, December 1993

Magnetic exchange interactions within binuclear entities of chromium III journal, October 1979

Recent advances in magnetic structure determination by neutron powder diffraction journal, October 1993

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Coexisting magnetic order and cooperative paramagnetism in the stuffed pyrochlore Tb 2 + x Ti 2 − 2 x Nb x O 7 journal, February 2010

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Exchange Mechanisms in Europium Chalcogenides journal, May 1970

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Title: Tuning the Magnetic Exchange via a Control of Orbital Hybridization in ${Cr}_{2} ({Te}_{1 - x} W_{x}) O_{6}$

Generalized Gradient Approximation Made Simple
journal, October 1996

Structural and magnetic aspects of the metal-insulator transition in ${Ca}_{2 - x} {Sr}_{x} {RuO}_{4}$
journal, April 2001

Superexchange interaction and symmetry properties of electron orbitals
journal, July 1959

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Insulator-metal transition and giant magnetoresistance in ${La}_{1 - x}$ ${Sr}_{x}$ ${MnO}_{3}$
journal, May 1995

Magnetic Phase Transitions in Inverse Trirutile-Type Compounds
journal, May 1994

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Density-functional theory and NiO photoemission spectra
journal, December 1993

Magnetic exchange interactions within binuclear entities of chromium III
journal, October 1979

Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Coexisting magnetic order and cooperative paramagnetism in the stuffed pyrochlore ${Tb}_{2 + x} {Ti}_{2 - 2 x} {Nb}_{x} O_{7}$
journal, February 2010

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Exchange Mechanisms in Europium Chalcogenides
journal, May 1970

Magnetic structures of the ordered trirutiles Cr2WO6, Cr2TeO6 and Fe2TeO6
journal, August 1968

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Theory of the Role of Covalence in the Perovskite-Type Manganites $[La, M (II)] Mn O_{3}$
journal, October 1955

Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991