Computationally driven experimental discovery of the CeIr4In compound

Fredeman, D. J.; Tobash, P. H.; Torrez, M. A.; Thompson, J. D.; Bauer, E. D.; Ronning, F.; Tipton, W. W.; Rudin, Sven P.; Hennig, R. G.

doi:10.1103/PhysRevB.83.224102

Title: Computationally driven experimental discovery of the CeIr₄In compound

Authors:: Fredeman, D. J.; Tobash, P. H.; Torrez, M. A.; Thompson, J. D.; Bauer, E. D.; Ronning, F.; Tipton, W. W.; Rudin, Sven P.; Hennig, R. G.

Publication Date:: Mon Jun 13 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1099572

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: 83 Journal Issue: 22; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Fredeman, D. J., Tobash, P. H., Torrez, M. A., Thompson, J. D., Bauer, E. D., Ronning, F., Tipton, W. W., Rudin, Sven P., and Hennig, R. G. Computationally driven experimental discovery of the CeIr4In compound.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.83.224102.

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                    Fredeman, D. J., Tobash, P. H., Torrez, M. A., Thompson, J. D., Bauer, E. D., Ronning, F., Tipton, W. W., Rudin, Sven P., & Hennig, R. G. Computationally driven experimental discovery of the CeIr4In compound.  United States.  https://doi.org/10.1103/PhysRevB.83.224102

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                    Fredeman, D. J., Tobash, P. H., Torrez, M. A., Thompson, J. D., Bauer, E. D., Ronning, F., Tipton, W. W., Rudin, Sven P., and Hennig, R. G. Mon .  
"Computationally driven experimental discovery of the CeIr4In compound".  United States.  https://doi.org/10.1103/PhysRevB.83.224102.

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@article{osti_1099572,

  title        = {Computationally driven experimental discovery of the CeIr4In compound},

  author       = {Fredeman, D. J. and Tobash, P. H. and Torrez, M. A. and Thompson, J. D. and Bauer, E. D. and Ronning, F. and Tipton, W. W. and Rudin, Sven P. and Hennig, R. G.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.83.224102},

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

  number       = 22,

  volume       = 83,

  place        = {United States},

  year         = {Mon Jun 13 00:00:00 EDT 2011},

  month        = {Mon Jun 13 00:00:00 EDT 2011}

}

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Works referenced in this record:

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Title: Computationally driven experimental discovery of the CeIr4In compound

Citation Formats

Heavy-fermion behavior in CeInPt 4 journal, November 1989

Crystal structure prediction from first principles journal, December 2008

Projector augmented-wave method journal, December 1994

Rare earth–transition metal–indides book, January 2004

Structural and magnetic studies on RInPt4 (RLaTm) compounds journal, November 1990

Complexity in Strongly Correlated Electronic Systems journal, July 2005

Ternary IndidesREIrIn (RE = Ce, Sm, Gd-Ho),REIrIn2 (RE = La-Nd, Sm), and Yb2IrIn8 journal, May 2005

Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods journal, April 2010

Rare Earth-Transition Metal Indides with Lu5Ni2In4-type Structure journal, December 2008

Superconductivity without phonons journal, December 2007

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

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

The alloy theoretic automated toolkit: A user guide journal, December 2002

Band-Gap Design of Quaternary (In,Ga)(As,Sb) Semiconductors via the Inverse-Band-Structure Approach journal, May 2008

Spin and orbital frustration in R In Cu 4 ( R = Gd , Dy, Ho, and Er) journal, April 2005

First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory journal, September 1997

Heat capacity studies of single-crystalline CePt4In journal, April 2008

Ab initio Ti-Zr-Ni phase diagram predicts stability of icosahedral TiZrNi quasicrystals journal, April 2005

Improved tetrahedron method for Brillouin-zone integrations journal, June 1994

Crystal Growth and Intergrowth Structure of the New Heavy Fermion Materials CeIrIn5 and CeRhIn5 journal, April 2001

Strongly Geometrically Frustrated Magnets journal, August 1994

Superconductivity and magnetism in a new class of heavy-fermion materials journal, May 2001

Field-induced ferromagnetic transition in PrInNi4 journal, May 2003

Predicting crystal structure by merging data mining with quantum mechanics journal, July 2006

A new heavy-fermion superconductor CeIrIn 5 : A relative of the cuprates? journal, February 2001

Localization of magnetic moments of cerium in single crystalline Ce Pt 4 In journal, March 2006

Title: Computationally driven experimental discovery of the CeIr₄In compound

Heavy-fermion behavior in ${CeInPt}_{4}$
journal, November 1989

Crystal structure prediction from first principles
journal, December 2008

Projector augmented-wave method
journal, December 1994

Rare earth–transition metal–indides
book, January 2004

Structural and magnetic studies on RInPt4 (RLaTm) compounds
journal, November 1990

Complexity in Strongly Correlated Electronic Systems
journal, July 2005

Ternary IndidesREIrIn (RE = Ce, Sm, Gd-Ho),REIrIn2 (RE = La-Nd, Sm), and Yb2IrIn8
journal, May 2005

Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods
journal, April 2010

Rare Earth-Transition Metal Indides with Lu5Ni2In4-type Structure
journal, December 2008

Superconductivity without phonons
journal, December 2007

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

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

The alloy theoretic automated toolkit: A user guide
journal, December 2002

Band-Gap Design of Quaternary (In,Ga)(As,Sb) Semiconductors via the Inverse-Band-Structure Approach
journal, May 2008

Spin and orbital frustration in $R In {Cu}_{4}$ ( $R = Gd$ , Dy, Ho, and Er)
journal, April 2005

First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory
journal, September 1997

Heat capacity studies of single-crystalline CePt4In
journal, April 2008

Ab initio Ti-Zr-Ni phase diagram predicts stability of icosahedral TiZrNi quasicrystals
journal, April 2005

Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994

Crystal Growth and Intergrowth Structure of the New Heavy Fermion Materials CeIrIn5 and CeRhIn5
journal, April 2001

Strongly Geometrically Frustrated Magnets
journal, August 1994

Superconductivity and magnetism in a new class of heavy-fermion materials
journal, May 2001

Field-induced ferromagnetic transition in PrInNi4
journal, May 2003

Predicting crystal structure by merging data mining with quantum mechanics
journal, July 2006

A new heavy-fermion superconductor CeIrIn ₅ : A relative of the cuprates?
journal, February 2001

Localization of magnetic moments of cerium in single crystalline $Ce {Pt}_{4} In$
journal, March 2006