First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni)

Das, Hena; Kanungo, Sudipta; Saha-Dasgupta, T.

doi:10.1103/PhysRevB.86.054422

Title: First-principles study of magnetoelastic effect in the difluoride compounds MF₂ (M=Mn, Fe, Co, Ni)

Authors:: Das, Hena; Kanungo, Sudipta; Saha-Dasgupta, T.

Publication Date:: Wed Aug 15 00:00:00 EDT 2012

Sponsoring Org.:: USDOE

OSTI Identifier:: 1103133

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 86 Journal Issue: 5; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Das, Hena, Kanungo, Sudipta, and Saha-Dasgupta, T. First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni).  United States: N. p., 2012. 
Web.  doi:10.1103/PhysRevB.86.054422.

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                    Das, Hena, Kanungo, Sudipta, & Saha-Dasgupta, T. First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni).  United States.  https://doi.org/10.1103/PhysRevB.86.054422

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                    Das, Hena, Kanungo, Sudipta, and Saha-Dasgupta, T. Wed .  
"First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni)".  United States.  https://doi.org/10.1103/PhysRevB.86.054422.

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@article{osti_1103133,

  title        = {First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni)},

  author       = {Das, Hena and Kanungo, Sudipta and Saha-Dasgupta, T.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.86.054422},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 5,

  volume       = 86,

  place        = {United States},

  year         = {Wed Aug 15 00:00:00 EDT 2012},

  month        = {Wed Aug 15 00:00:00 EDT 2012}

}

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Works referenced in this record:

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Title: First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M=Mn, Fe, Co, Ni)

Citation Formats

Neutron Diffraction Studies of Antiferromagnetism in Cr F 2 and Cr Cl 2 journal, May 1960

Generalized Gradient Approximation Made Simple journal, October 1996

Linear methods in band theory journal, October 1975

Magnetoelastic effect in MF 2 (M = Mn, Fe, Ni) investigated by neutron powder diffraction journal, July 2010

Electronic Structure, Phonons, and Dielectric Anomaly in Ferromagnetic Insulating Double Pervoskite La 2 NiMnO 6 journal, May 2008

The Crystal Structure of Copper(II) Fluoride journal, March 1957

Magnetoelastic effects in Jahn–Teller distorted CrF 2 and CuF 2 studied by neutron powder diffraction journal, June 2011

Neutron and Optical Investigation of Magnons and Magnon-Magnon Interaction Effects in Ni F 2 journal, September 1970

Ferroelectricity in perovskitelike NaCaF 3 predicted ab initio journal, May 1989

Ab initiomolecular dynamics for liquid metals journal, January 1993

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

Covalency in NiF 2 from magnetisation density data and from ab initio theory journal, June 1990

Covalency in FeF 2 from magnetisation density data and from ab initio theory journal, June 1990

Muffin-tin orbitals of arbitrary order journal, December 2000

The magnetoelastic effect in CoF 2 investigated by means of neutron powder diffraction journal, February 2010

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

Electronic properties of NaCdF 3 : A first-principles prediction journal, January 2004

Microscopic theory of spin-polarization coupling in multiferroic transition metal oxides journal, October 2007

Elastic and magnetic effects on the infrared phonon spectra of MnF 2 journal, August 2010

Explicit, First-Principles Tight-Binding Theory journal, December 1984

On the domain structure in NiF2: A γ-ray diffraction study journal, January 1991

Prediction for new magnetoelectric fluorides journal, September 2007

Title: First-principles study of magnetoelastic effect in the difluoride compounds MF₂ (M=Mn, Fe, Co, Ni)

Neutron Diffraction Studies of Antiferromagnetism in Cr $F_{2}$ and Cr ${Cl}_{2}$
journal, May 1960

Generalized Gradient Approximation Made Simple
journal, October 1996

Linear methods in band theory
journal, October 1975

Magnetoelastic effect in MF ₂ (M = Mn, Fe, Ni) investigated by neutron powder diffraction
journal, July 2010

Electronic Structure, Phonons, and Dielectric Anomaly in Ferromagnetic Insulating Double Pervoskite ${La}_{2} {NiMnO}_{6}$
journal, May 2008

The Crystal Structure of Copper(II) Fluoride
journal, March 1957

Magnetoelastic effects in Jahn–Teller distorted CrF ₂ and CuF ₂ studied by neutron powder diffraction
journal, June 2011

Neutron and Optical Investigation of Magnons and Magnon-Magnon Interaction Effects in Ni $F_{2}$
journal, September 1970

Ferroelectricity in perovskitelike ${NaCaF}_{3}$ predicted ab initio
journal, May 1989

Ab initiomolecular dynamics for liquid metals
journal, January 1993

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

Covalency in NiF ₂ from magnetisation density data and from ab initio theory
journal, June 1990

Covalency in FeF ₂ from magnetisation density data and from ab initio theory
journal, June 1990

Muffin-tin orbitals of arbitrary order
journal, December 2000

The magnetoelastic effect in CoF ₂ investigated by means of neutron powder diffraction
journal, February 2010

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

Electronic properties of ${NaCdF}_{3} :$ A first-principles prediction
journal, January 2004

Microscopic theory of spin-polarization coupling in multiferroic transition metal oxides
journal, October 2007

Elastic and magnetic effects on the infrared phonon spectra of ${MnF}_{2}$
journal, August 2010

Explicit, First-Principles Tight-Binding Theory
journal, December 1984

On the domain structure in NiF2: A γ-ray diffraction study
journal, January 1991

Prediction for new magnetoelectric fluorides
journal, September 2007