Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

Li, J.; Wang, H.; Hu, J.; Wu, R. Q.

doi:10.1063/1.4950952

Title: Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

Abstract

Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (~126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. Finally, this giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.

Authors:

^[1]; Wang, H. ^[2]; Hu, J. ^[3]; Wu, R. Q. ^[2]

Fudan Univ., Shanghai (China). State Key Lab. of Surface Physics, Key Lab. of Computational Physical Sciences, and Dept. of Physics
Fudan Univ., Shanghai (China). State Key Lab. of Surface Physics, Key Lab. of Computational Physical Sciences, and Dept. of Physics; Univ. of California, Irvine, CA (United States). Dept. of Physics and Astronomy
Soochow Univ., Suzhou, Jiangsu (China). College of Physics, Optoelectronics and Energy

Publication Date:: Fri May 27 00:00:00 EDT 2016

Research Org.:: Univ. of California, Irvine, CA (United States)

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

OSTI Identifier:: 1471109

Alternate Identifier(s):: OSTI ID: 1254677

Grant/Contract Number:: FG02-05ER46237; 11474056; 2015CB921400

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 144; Journal Issue: 20; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats


                    Li, J., Wang, H., Hu, J., and Wu, R. Q. Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4950952.

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                    Li, J., Wang, H., Hu, J., & Wu, R. Q. Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet.  United States.  https://doi.org/10.1063/1.4950952

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                    Li, J., Wang, H., Hu, J., and Wu, R. Q. Fri .  
"Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet".  United States.  https://doi.org/10.1063/1.4950952.  https://www.osti.gov/servlets/purl/1471109.

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@article{osti_1471109,

  title        = {Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet},

  author       = {Li, J. and Wang, H. and Hu, J. and Wu, R. Q.},

  abstractNote = {Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (~126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. Finally, this giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.},

  doi          = {10.1063/1.4950952},

  journal      = {Journal of Chemical Physics},

  number       = 20,

  volume       = 144,

  place        = {United States},

  year         = {Fri May 27 00:00:00 EDT 2016},

  month        = {Fri May 27 00:00:00 EDT 2016}

}

Copy to clipboard

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Works referencing / citing this record:

Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters
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Zhang, Yachao
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Similar Records

Title: Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

Abstract

Citation Formats

Giant Magnetic Anisotropy of Single Cobalt Atoms and Nanoparticles journal, May 2003

CoIr-carbon complexes with magnetic anisotropies larger than 0.2 eV: A density-functional-theory prediction journal, December 2010

Generalized Gradient Approximation Made Simple journal, October 1996

Control of the Magnetism and Magnetic Anisotropy of a Single-Molecule Magnet with an Electric Field journal, February 2013

Transition-metal dimers and physical limits on magnetic anisotropy journal, July 2007

Hexagonal boron nitride: Fabrication, properties and applications journal, January 1989

Bistability in Atomic-Scale Antiferromagnets journal, January 2012

Deep Ultraviolet Light-Emitting Hexagonal Boron Nitride Synthesized at Atmospheric Pressure journal, August 2007

Co Dimers on Hexagonal Carbon Rings Proposed as Subnanometer Magnetic Storage Bits journal, October 2009

Giant Magnetic Anisotropy of Transition-Metal Dimers on Defected Graphene journal, March 2014

Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers journal, August 2010

Thermal stability of recorded information at high densities journal, January 1997

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

Engineering atomic and molecular nanostructures at surfaces journal, September 2005

Electric-field-assisted switching in magnetic tunnel junctions journal, November 2011

Spin–orbit induced magnetic phenomena in bulk metals and their surfaces and interfaces journal, October 1999

Deep Ultraviolet Light-Emitting Hexagonal Boron Nitride Synthesized at Atmospheric Pressure. journal, November 2007

Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets journal, May 2021

Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect journal, February 2020

Thermal Stability Of Recorded Information At High Densities conference, August 1996

CoIr-carbon complexes with magnetic anisotropies larger than 0.2 eV: a density-functional-theory prediction text, January 2010

Control of the magnetism and magnetic anisotropy of a single-molecule magnet with an electric field text, January 2012

Giant magnetic anisotropy of transition-metal dimers on defected graphene text, January 2013

Transition-metal dimers and physical limits on magnetic anisotropy text, January 2007

Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters journal, February 2018

Giant magnetic anisotropy of a two-dimensional metal–dicyanoanthracene framework journal, January 2018

Magnetic anisotropy of iridium dimers on two-dimensional materials journal, January 2020

Electric-field control of spin orientation of manganocene: An insight into molecule-substrate interactions journal, January 2019

Giant Magnetic Anisotropy of Single Cobalt Atoms and Nanoparticles
journal, May 2003

CoIr-carbon complexes with magnetic anisotropies larger than 0.2 eV: A density-functional-theory prediction
journal, December 2010

Generalized Gradient Approximation Made Simple
journal, October 1996

Control of the Magnetism and Magnetic Anisotropy of a Single-Molecule Magnet with an Electric Field
journal, February 2013

Transition-metal dimers and physical limits on magnetic anisotropy
journal, July 2007

Hexagonal boron nitride: Fabrication, properties and applications
journal, January 1989

Bistability in Atomic-Scale Antiferromagnets
journal, January 2012

Deep Ultraviolet Light-Emitting Hexagonal Boron Nitride Synthesized at Atmospheric Pressure
journal, August 2007

Co Dimers on Hexagonal Carbon Rings Proposed as Subnanometer Magnetic Storage Bits
journal, October 2009

Giant Magnetic Anisotropy of Transition-Metal Dimers on Defected Graphene
journal, March 2014

Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers
journal, August 2010

Thermal stability of recorded information at high densities
journal, January 1997

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

Engineering atomic and molecular nanostructures at surfaces
journal, September 2005

Electric-field-assisted switching in magnetic tunnel junctions
journal, November 2011

Spin–orbit induced magnetic phenomena in bulk metals and their surfaces and interfaces
journal, October 1999

Deep Ultraviolet Light-Emitting Hexagonal Boron Nitride Synthesized at Atmospheric Pressure.
journal, November 2007

Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021

Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020

Thermal Stability Of Recorded Information At High Densities
conference, August 1996

CoIr-carbon complexes with magnetic anisotropies larger than 0.2 eV: a density-functional-theory prediction
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Control of the magnetism and magnetic anisotropy of a single-molecule magnet with an electric field
text, January 2012

Giant magnetic anisotropy of transition-metal dimers on defected graphene
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Transition-metal dimers and physical limits on magnetic anisotropy
text, January 2007

Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters
journal, February 2018

Giant magnetic anisotropy of a two-dimensional metal–dicyanoanthracene framework
journal, January 2018

Magnetic anisotropy of iridium dimers on two-dimensional materials
journal, January 2020

Electric-field control of spin orientation of manganocene: An insight into molecule-substrate interactions
journal, January 2019