Electronic structure, magnetic properties, and magnetostructural transition in Tb5Si2.2Ge1.8 from first principles

Paudyal, Durga; Mudryk, Y.; Pecharsky, V. K.; Gschneidner, K. A.

doi:10.1103/PhysRevB.84.014421

Title: Electronic structure, magnetic properties, and magnetostructural transition in Tb₅Si_2.2Ge_1.8 from first principles

Authors:: Paudyal, Durga; Mudryk, Y.; Pecharsky, V. K.; Gschneidner, K. A.

Publication Date:: Wed Jul 27 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1100399

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: 84 Journal Issue: 1; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Paudyal, Durga, Mudryk, Y., Pecharsky, V. K., and Gschneidner, K. A. Electronic structure, magnetic properties, and magnetostructural transition in Tb5Si2.2Ge1.8 from first principles.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.84.014421.

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                    Paudyal, Durga, Mudryk, Y., Pecharsky, V. K., & Gschneidner, K. A. Electronic structure, magnetic properties, and magnetostructural transition in Tb5Si2.2Ge1.8 from first principles.  United States.  https://doi.org/10.1103/PhysRevB.84.014421

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                    Paudyal, Durga, Mudryk, Y., Pecharsky, V. K., and Gschneidner, K. A. Wed .  
"Electronic structure, magnetic properties, and magnetostructural transition in Tb5Si2.2Ge1.8 from first principles".  United States.  https://doi.org/10.1103/PhysRevB.84.014421.

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@article{osti_1100399,

  title        = {Electronic structure, magnetic properties, and magnetostructural transition in Tb5Si2.2Ge1.8 from first principles},

  author       = {Paudyal, Durga and Mudryk, Y. and Pecharsky, V. K. and Gschneidner, K. A.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.84.014421},

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

  number       = 1,

  volume       = 84,

  place        = {United States},

  year         = {Wed Jul 27 00:00:00 EDT 2011},

  month        = {Wed Jul 27 00:00:00 EDT 2011}

}

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Matrix Elements and Operator Equivalents Connected with the Magnetic Properties of Rare Earth Ions
journal, March 1952

Stevens, K. W. H.
Proceedings of the Physical Society. Section A, Vol. 65, Issue 3
DOI: 10.1088/0370-1298/65/3/308

Giant magnetocaloric effect of MnAs1−xSbx
journal, November 2001

Wada, H.; Tanabe, Y.
Applied Physics Letters, Vol. 79, Issue 20
DOI: 10.1063/1.1419048

Structure, magnetism, and thermodynamics of the novel rare earth-based R5T4 intermetallics
journal, January 2007

Pecharsky, V. K.; Gschneidner, K. A.
Pure and Applied Chemistry, Vol. 79, Issue 8
DOI: 10.1351/pac200779081383

Influence of Y substitutions on the magnetism of Gd5Ge4
journal, May 2010

Paudyal, Durga; Mudryk, Y.; Pecharsky, V. K.
Journal of Applied Physics, Vol. 107, Issue 9
DOI: 10.1063/1.3349231

Calculation of magneto-optical properties for 4f systems: LSDA + Hubbard U results
journal, November 1995

Harmon, B. N.; Antropov, V. P.; Liechtenstein, A. I.
Journal of Physics and Chemistry of Solids, Vol. 56, Issue 11
DOI: 10.1016/0022-3697(95)00122-0

Electronic structure, magnetism, and Fermi surfaces of Gd and Tb
journal, August 1994

Ahuja, R.; Auluck, S.; Johansson, B.
Physical Review B, Vol. 50, Issue 8
DOI: 10.1103/PhysRevB.50.5147

Magnetism and electronic structure of hcp Gd and the Gd(0001) surface
journal, June 2002

Kurz, Ph; Bihlmayer, G.; Blügel, S.
Journal of Physics: Condensed Matter, Vol. 14, Issue 25
DOI: 10.1088/0953-8984/14/25/305

Crystal structure-magnetic property relationships of ${Gd}_{5} {Ge}_{4}$ examined by in situ x-ray powder diffraction
journal, August 2005

Mudryk, Ya.; Holm, A. P.; Gschneidner, K. A.
Physical Review B, Vol. 72, Issue 6
DOI: 10.1103/PhysRevB.72.064442

CURIE TEMPERATURE AND MAGNETOCALORIC EFFECT OF POLYCRYSTALLINE La0.8-xCa0.2MnO3
journal, January 2001

Chen Wei,
Acta Physica Sinica, Vol. 50, Issue 2
DOI: 10.7498/aps.50.319

Competing crystal and magnetic structures in ${Gd}_{5} {Ge}_{4}$
journal, October 2010

Paudyal, Durga; Mudryk, Ya.; Pecharsky, V. K.
Physical Review B, Vol. 82, Issue 14
DOI: 10.1103/PhysRevB.82.144413

Electronic structure, optical, and magneto-optical properties of Gd[sub 5](Si[sub 2]Ge[sub 2]) compound
journal, January 2002

Harmon, B. N.; Antonov, V. N.
Journal of Applied Physics, Vol. 91, Issue 12
DOI: 10.1063/1.1461896

Electronic structure and magnetic properties of Gd[sub 5](Si[sub 1−x]Ge[sub x])[sub 4]
journal, January 2002

Samolyuk, G. D.; Antropov, V. P.
Journal of Applied Physics, Vol. 91, Issue 10
DOI: 10.1063/1.1455614

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

Andersen, O. K.; Jepsen, O.
Physical Review Letters, Vol. 53, Issue 27
DOI: 10.1103/PhysRevLett.53.2571

Magnetic and magnetothermodynamic properties of Ho5Si4
journal, May 2010

Singh, Niraj K.; Paudyal, Durga; Pecharsky, V. K.
Journal of Applied Physics, Vol. 107, Issue 9
DOI: 10.1063/1.3365515

Calculated photoemission spectra of the 5f states in the actinides
journal, July 1983

Gerken, F.; Schmidt-May, J.
Journal of Physics F: Metal Physics, Vol. 13, Issue 7
DOI: 10.1088/0305-4608/13/7/026

The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd 5 (Si x Ge 1−x ) 4 system near x =0.5
journal, February 2003

Pecharsky, V. K.; Samolyuk, G. D.; Antropov, V. P.
Journal of Solid State Chemistry, Vol. 171, Issue 1-2
DOI: 10.1016/S0022-4596(02)00146-9

Exchange coupling in pure hcp Gd and magnetostructural transition in Gd5(Si2Ge2)
journal, May 2005

Samolyuk, G. D.; Antropov, V. P.
Journal of Applied Physics, Vol. 97, Issue 10
DOI: 10.1063/1.1851693

Crystallography, anisotropic metamagnetism, and magnetocaloric effect in ${Tb}_{5} {Si}_{2.2} {Ge}_{1.8}$
journal, January 2007

Zou, M.; Mudryk, Ya.; Pecharsky, V. K.
Physical Review B, Vol. 75, Issue 2
DOI: 10.1103/PhysRevB.75.024418

Magnetic-field-induced structural phase transition in ${Gd}_{5} {(S i}_{1.8} {Ge}_{2.2})$
journal, December 1998

Morellon, L.; Algarabel, P. A.; Ibarra, M. R.
Physical Review B, Vol. 58, Issue 22
DOI: 10.1103/PhysRevB.58.R14721

Magnetic phase transitions and ferromagnetic short-range correlations in single-crystal ${Tb}_{5} {Si}_{2.2} {Ge}_{1.8}$
journal, July 2008

Zou, M.; Pecharsky, V. K.; Gschneidner, K. A.
Physical Review B, Vol. 78, Issue 1
DOI: 10.1103/PhysRevB.78.014435

Magnetic and structural transitions in ${Dy}_{5} {Si}_{3} Ge$
journal, September 2007

Nirmala, R.; Mudryk, Ya.; Pecharsky, V. K.
Physical Review B, Vol. 76, Issue 10
DOI: 10.1103/PhysRevB.76.104417

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I.
Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808
DOI: 10.1088/0953-8984/9/4/002

Magnetic Disorder as a First-Order Phase Transformation
journal, April 1962

Bean, C. P.; Rodbell, D. S.
Physical Review, Vol. 126, Issue 1
DOI: 10.1103/PhysRev.126.104

Origins of ferromagnetism and antiferromagnetism in Gd ₅ Ge ₄
journal, May 2008

Paudyal, Durga; Pecharsky, V. K.; Gschneidner Jr, K. A.
Journal of Physics: Condensed Matter, Vol. 20, Issue 23
DOI: 10.1088/0953-8984/20/23/235235

Effect of Si doping and applied pressure upon magnetostructural properties of Tb $_{5}$ (Si $_{x}$ Ge $_{1 - x}$ ) $_{4}$ magnetocaloric compounds
journal, March 2011

Tseng, Yuan-Chieh; Ma, Hao-Jhong; Yang, Chao-Yao
Physical Review B, Vol. 83, Issue 10
DOI: 10.1103/PhysRevB.83.104419

Magnetic-martensitic transition of ${Tb}_{5} {Si}_{2} {Ge}_{2}$ studied with neutron powder diffraction
journal, July 2003

Morellon, L.; Ritter, C.; Magen, C.
Physical Review B, Vol. 68, Issue 2
DOI: 10.1103/PhysRevB.68.024417

The room temperature metastable/stable phase relationships in the pseudo-binary Gd5Si4–Gd5Ge4 system
journal, May 2002

Pecharsky, A. O.; Gschneidner, K. A.; Pecharsky, V. K.
Journal of Alloys and Compounds, Vol. 338, Issue 1-2
DOI: 10.1016/S0925-8388(02)00226-8

Pressure Enhancement of the Giant Magnetocaloric Effect in ${T b}_{5} {S i}_{2} {G e}_{2}$
journal, September 2004

Morellon, L.; Arnold, Z.; Magen, C.
Physical Review Letters, Vol. 93, Issue 13
DOI: 10.1103/PhysRevLett.93.137201

Magnetocaloric effect and magnetic refrigeration
journal, October 1999

Pecharsky, Vitalij K.; Gschneidner Jr, Karl A.
Journal of Magnetism and Magnetic Materials, Vol. 200, Issue 1-3
DOI: 10.1016/S0304-8853(99)00397-2

Electronic structure and x-ray magnetic circular dichroism in Gd5(Si2Ge2)
journal, April 2003

Harmon, B. N.; Antonov, V. N.
Journal of Applied Physics, Vol. 93, Issue 8
DOI: 10.1063/1.1559641

Magnetic and structural phase diagram of ${Tb}_{5} ({Si}_{x} {Ge}_{1 - x})_{4}$
journal, February 2002

Ritter, C.; Morellon, L.; Algarabel, P. A.
Physical Review B, Vol. 65, Issue 9
DOI: 10.1103/PhysRevB.65.094405

Recent developments in magnetocaloric materials
journal, May 2005

Gschneidner, K. A.; Pecharsky, V. K.; Tsokol, A. O.
Reports on Progress in Physics, Vol. 68, Issue 6, p. 1479-1539
DOI: 10.1088/0034-4885/68/6/R04

Magnetism of ${Gd}_{5} {Ge}_{4}$ from first principles
journal, March 2007

Paudyal, Durga; Pecharsky, V. K.; Gschneidner, K. A.
Physical Review B, Vol. 75, Issue 9
DOI: 10.1103/PhysRevB.75.094427

Electron correlation effects and magnetic ordering at the Gd(0001) surface
journal, April 2000

Shick, A. B.; Pickett, W. E.; Fadley, C. S.
Physical Review B, Vol. 61, Issue 14
DOI: 10.1103/PhysRevB.61.R9213

Controlling Magnetism of a Complex Metallic System Using Atomic Individualism
journal, August 2010

Mudryk, Y.; Paudyal, D.; Pecharsky, V. K.
Physical Review Letters, Vol. 105, Issue 6
DOI: 10.1103/PhysRevLett.105.066401

Magnetostructural transition in ${Gd}_{5} {Sb}_{0.5} {Ge}_{3.5}$
journal, November 2009

Chernyshov, A. S.; Mudryk, Ya.; Paudyal, D.
Physical Review B, Vol. 80, Issue 18
DOI: 10.1103/PhysRevB.80.184416

Multiplet effects in the electronic structure of heavy rare-earth metals
journal, June 2006

Lebègue, S.; Svane, A.; Katsnelson, M. I.
Journal of Physics: Condensed Matter, Vol. 18, Issue 27
DOI: 10.1088/0953-8984/18/27/015

Magnetic field induced phase transitions in Gd5(Si1.95Ge2.05) single crystal and the anisotropic magnetocaloric effect
journal, May 2003

Tang, H.; Pecharsky, A. O.; Schlagel, D. L.
Journal of Applied Physics, Vol. 93, Issue 10
DOI: 10.1063/1.1556259

Magnetostructural transition in ${Gd}_{5} {Si}_{0.5} {Ge}_{3.5}$ : Magnetic and x-ray powder diffraction measurements, and theoretical calculations
journal, January 2008

Mudryk, Ya.; Paudyal, D.; Pecharsky, V. K.
Physical Review B, Vol. 77, Issue 2
DOI: 10.1103/PhysRevB.77.024408

Rare Earth Magnetism
book, June 1991

Jensen, Jens; Mackintosh, Allan R.
DOI: 10.1093/oso/9780198520276.001.0001

Magnetostructural properties of ${Ho}_{5} {({Si}_{0.8} {Ge}_{0.2})}_{4}$
journal, May 2010

Singh, Niraj K.; Paudyal, D.; Mudryk, Ya.
Physical Review B, Vol. 81, Issue 18
DOI: 10.1103/PhysRevB.81.184414

Tunable magnetic regenerator alloys with a giant magnetocaloric effect for magnetic refrigeration from ∼20 to ∼290 K
journal, June 1997

Pecharsky, V. K.; Gschneidner, K. A.
Applied Physics Letters, Vol. 70, Issue 24
DOI: 10.1063/1.119206

Electronic structure of Gd5(Si, Ge)4
journal, July 2002

Skorek, G.; Deniszczyk, J.; Szade, J.
Journal of Physics: Condensed Matter, Vol. 14, Issue 30
DOI: 10.1088/0953-8984/14/30/316

Magnetocaloric effect in Tb5(SixGe1−x)4
journal, August 2001

Morellon, L.; Magen, C.; Algarabel, P. A.
Applied Physics Letters, Vol. 79, Issue 9
DOI: 10.1063/1.1399007

Band structure theory of magnetism in 3d-4f compounds
journal, May 1998

Richter, Manuel
Journal of Physics D: Applied Physics, Vol. 31, Issue 9
DOI: 10.1088/0022-3727/31/9/002

Decoupling of the Magnetic and Structural Transformations in ${E r}_{5} {S i}_{4}$
journal, November 2003

Pecharsky, V. K.; Pecharsky, A. O.; Mozharivskyj, Y.
Physical Review Letters, Vol. 91, Issue 20
DOI: 10.1103/PhysRevLett.91.207205

Influence of negative lattice expansion and metamagnetic transition on magnetic entropy change in the compound LaFe11.4Si1.6
journal, June 2001

Hu, Feng-xia; Shen, Bao-gen; Sun, Ji-rong
Applied Physics Letters, Vol. 78, Issue 23
DOI: 10.1063/1.1375836

Nature of the first-order antiferromagnetic-ferromagnetic transition in the Ge-rich magnetocaloric compounds ${Gd}_{5} ({Si}_{x} {Ge}_{1 - x})_{4}$
journal, July 2000

Morellon, L.; Blasco, J.; Algarabel, P. A.
Physical Review B, Vol. 62, Issue 2
DOI: 10.1103/PhysRevB.62.1022

Magnetostructural transition in ${Ho}_{5} {Ge}_{4}$
journal, March 2009

Singh, Niraj K.; Paudyal, Durga; Mudryk, Ya.
Physical Review B, Vol. 79, Issue 9
DOI: 10.1103/PhysRevB.79.094115

Giant Magnetocaloric Effect in ${Gd}_{5} ({Si}_{2} {Ge}_{2})$
journal, June 1997

Pecharsky, V. K.; Gschneidner, Jr., K. A.
Physical Review Letters, Vol. 78, Issue 23, p. 4494-4497
DOI: 10.1103/PhysRevLett.78.4494

Making and Breaking Covalent Bonds across the Magnetic Transition in the Giant Magnetocaloric Material ${Gd}_{5} ({Si}_{2} {Ge}_{2})$
journal, May 2000

Choe, W.; Pecharsky, V. K.; Pecharsky, A. O.
Physical Review Letters, Vol. 84, Issue 20
DOI: 10.1103/PhysRevLett.84.4617

Neutron diffraction studies of the magnetoelastic compounds ${Tb}_{5} {Si}_{x} {Ge}_{4 - x}$ ( $x = 2.2$ and 2.5)
journal, September 2005

Garlea, V. O.; Zarestky, J. L.; Jones, C. Y.
Physical Review B, Vol. 72, Issue 10
DOI: 10.1103/PhysRevB.72.104431

Hydrostatic pressure control of the magnetostructural phase transition in ${Gd}_{5} {Si}_{2} {Ge}_{2}$ single crystals
journal, July 2005

Magen, C.; Morellon, L.; Algarabel, P. A.
Physical Review B, Vol. 72, Issue 2
DOI: 10.1103/PhysRevB.72.024416

Polymorphism of ${Gd}_{5} {Si}_{2} {Ge}_{2}$ : The equivalence of temperature, magnetic field, and chemical and hydrostatic pressures
journal, May 2005

Mudryk, Ya.; Lee, Y.; Vogt, T.
Physical Review B, Vol. 71, Issue 17
DOI: 10.1103/PhysRevB.71.174104

A local exchange-correlation potential for the spin polarized case. i
journal, July 1972

Barth, U. von; Hedin, L.
Journal of Physics C: Solid State Physics, Vol. 5, Issue 13
DOI: 10.1088/0022-3719/5/13/012

Massive Magnetic-Field-Induced Structural Transformation in ${G d}_{5} {G e}_{4}$ and the Nature of the Giant Magnetocaloric Effect
journal, November 2003

Pecharsky, V. K.; Holm, A. P.; Gschneidner, K. A.
Physical Review Letters, Vol. 91, Issue 19
DOI: 10.1103/PhysRevLett.91.197204

Electron correlation effects on the magnetostructural transition and magnetocaloric effect in ${Gd}_{5} {Si}_{2} {Ge}_{2}$
journal, April 2006

Paudyal, Durga; Pecharsky, Vitalij K.; Gschneidner, Karl A.
Physical Review B, Vol. 73, Issue 14
DOI: 10.1103/PhysRevB.73.144406

Anisotropy of the Magnetoresistance in ${G d}_{5} {S i}_{2} {G e}_{2}$
journal, November 2004

Tang, H.; Pecharsky, V. K.; Samolyuk, G. D.
Physical Review Letters, Vol. 93, Issue 23
DOI: 10.1103/PhysRevLett.93.237203

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Title: Electronic structure, magnetic properties, and magnetostructural transition in Tb5Si2.2Ge1.8 from first principles

Citation Formats

Matrix Elements and Operator Equivalents Connected with the Magnetic Properties of Rare Earth Ions journal, March 1952

Giant magnetocaloric effect of MnAs1−xSbx journal, November 2001

Structure, magnetism, and thermodynamics of the novel rare earth-based R5T4 intermetallics journal, January 2007

Influence of Y substitutions on the magnetism of Gd5Ge4 journal, May 2010

Calculation of magneto-optical properties for 4f systems: LSDA + Hubbard U results journal, November 1995

Electronic structure, magnetism, and Fermi surfaces of Gd and Tb journal, August 1994

Magnetism and electronic structure of hcp Gd and the Gd(0001) surface journal, June 2002

Crystal structure-magnetic property relationships of Gd 5 Ge 4 examined by in situ x-ray powder diffraction journal, August 2005

CURIE TEMPERATURE AND MAGNETOCALORIC EFFECT OF POLYCRYSTALLINE La0.8-xCa0.2MnO3 journal, January 2001

Competing crystal and magnetic structures in Gd 5 Ge 4 journal, October 2010

Electronic structure, optical, and magneto-optical properties of Gd[sub 5](Si[sub 2]Ge[sub 2]) compound journal, January 2002

Electronic structure and magnetic properties of Gd[sub 5](Si[sub 1−x]Ge[sub x])[sub 4] journal, January 2002

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

Magnetic and magnetothermodynamic properties of Ho5Si4 journal, May 2010

Calculated photoemission spectra of the 5f states in the actinides journal, July 1983

The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd 5 (Si x Ge 1−x ) 4 system near x =0.5 journal, February 2003

Exchange coupling in pure hcp Gd and magnetostructural transition in Gd5(Si2Ge2) journal, May 2005

Crystallography, anisotropic metamagnetism, and magnetocaloric effect in Tb 5 Si 2.2 Ge 1.8 journal, January 2007

Magnetic-field-induced structural phase transition in Gd 5 ( S i 1.8 Ge 2.2 ) journal, December 1998

Magnetic phase transitions and ferromagnetic short-range correlations in single-crystal Tb 5 Si 2.2 Ge 1.8 journal, July 2008

Magnetic and structural transitions in Dy 5 Si 3 Ge journal, September 2007

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method journal, January 1997

Magnetic Disorder as a First-Order Phase Transformation journal, April 1962

Origins of ferromagnetism and antiferromagnetism in Gd 5 Ge 4 journal, May 2008

Effect of Si doping and applied pressure upon magnetostructural properties of Tb 5 (Si x Ge 1 − x ) 4 magnetocaloric compounds journal, March 2011

Magnetic-martensitic transition of Tb 5 Si 2 Ge 2 studied with neutron powder diffraction journal, July 2003

The room temperature metastable/stable phase relationships in the pseudo-binary Gd5Si4–Gd5Ge4 system journal, May 2002

Pressure Enhancement of the Giant Magnetocaloric Effect in T b 5 S i 2 G e 2 journal, September 2004

Magnetocaloric effect and magnetic refrigeration journal, October 1999

Electronic structure and x-ray magnetic circular dichroism in Gd5(Si2Ge2) journal, April 2003

Magnetic and structural phase diagram of Tb 5 ( Si x Ge 1 − x ) 4 journal, February 2002

Recent developments in magnetocaloric materials journal, May 2005

Magnetism of Gd 5 Ge 4 from first principles journal, March 2007

Electron correlation effects and magnetic ordering at the Gd(0001) surface journal, April 2000

Controlling Magnetism of a Complex Metallic System Using Atomic Individualism journal, August 2010

Magnetostructural transition in Gd 5 Sb 0.5 Ge 3.5 journal, November 2009

Multiplet effects in the electronic structure of heavy rare-earth metals journal, June 2006

Magnetic field induced phase transitions in Gd5(Si1.95Ge2.05) single crystal and the anisotropic magnetocaloric effect journal, May 2003

Magnetostructural transition in Gd 5 Si 0.5 Ge 3.5 : Magnetic and x-ray powder diffraction measurements, and theoretical calculations journal, January 2008

Rare Earth Magnetism book, June 1991

Magnetostructural properties of Ho 5 ( Si 0.8 Ge 0.2 ) 4 journal, May 2010

Tunable magnetic regenerator alloys with a giant magnetocaloric effect for magnetic refrigeration from ∼20 to ∼290 K journal, June 1997

Electronic structure of Gd5(Si, Ge)4 journal, July 2002

Magnetocaloric effect in Tb5(SixGe1−x)4 journal, August 2001

Band structure theory of magnetism in 3d-4f compounds journal, May 1998

Decoupling of the Magnetic and Structural Transformations in E r 5 S i 4 journal, November 2003

Influence of negative lattice expansion and metamagnetic transition on magnetic entropy change in the compound LaFe11.4Si1.6 journal, June 2001

Nature of the first-order antiferromagnetic-ferromagnetic transition in the Ge-rich magnetocaloric compounds Gd 5 ( Si x Ge 1 − x ) 4 journal, July 2000

Magnetostructural transition in Ho 5 Ge 4 journal, March 2009

Giant Magnetocaloric Effect in Gd5(Si2Ge2) journal, June 1997

Making and Breaking Covalent Bonds across the Magnetic Transition in the Giant Magnetocaloric Material Gd 5 ( Si 2 Ge 2 ) journal, May 2000

Neutron diffraction studies of the magnetoelastic compounds Tb 5 Si x Ge 4 − x ( x = 2.2 and 2.5) journal, September 2005

Hydrostatic pressure control of the magnetostructural phase transition in Gd 5 Si 2 Ge 2 single crystals journal, July 2005

Polymorphism of Gd 5 Si 2 Ge 2 : The equivalence of temperature, magnetic field, and chemical and hydrostatic pressures journal, May 2005

A local exchange-correlation potential for the spin polarized case. i journal, July 1972

Massive Magnetic-Field-Induced Structural Transformation in G d 5 G e 4 and the Nature of the Giant Magnetocaloric Effect journal, November 2003

Electron correlation effects on the magnetostructural transition and magnetocaloric effect in Gd 5 Si 2 Ge 2 journal, April 2006

Anisotropy of the Magnetoresistance in G d 5 S i 2 G e 2 journal, November 2004

Title: Electronic structure, magnetic properties, and magnetostructural transition in Tb₅Si_2.2Ge_1.8 from first principles

Matrix Elements and Operator Equivalents Connected with the Magnetic Properties of Rare Earth Ions
journal, March 1952

Giant magnetocaloric effect of MnAs1−xSbx
journal, November 2001

Structure, magnetism, and thermodynamics of the novel rare earth-based R5T4 intermetallics
journal, January 2007

Influence of Y substitutions on the magnetism of Gd5Ge4
journal, May 2010

Calculation of magneto-optical properties for 4f systems: LSDA + Hubbard U results
journal, November 1995

Electronic structure, magnetism, and Fermi surfaces of Gd and Tb
journal, August 1994

Magnetism and electronic structure of hcp Gd and the Gd(0001) surface
journal, June 2002

Crystal structure-magnetic property relationships of ${Gd}_{5} {Ge}_{4}$ examined by in situ x-ray powder diffraction
journal, August 2005

CURIE TEMPERATURE AND MAGNETOCALORIC EFFECT OF POLYCRYSTALLINE La0.8-xCa0.2MnO3
journal, January 2001

Competing crystal and magnetic structures in ${Gd}_{5} {Ge}_{4}$
journal, October 2010

Electronic structure, optical, and magneto-optical properties of Gd[sub 5](Si[sub 2]Ge[sub 2]) compound
journal, January 2002

Electronic structure and magnetic properties of Gd[sub 5](Si[sub 1−x]Ge[sub x])[sub 4]
journal, January 2002

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

Magnetic and magnetothermodynamic properties of Ho5Si4
journal, May 2010

Calculated photoemission spectra of the 5f states in the actinides
journal, July 1983

The effect of varying the crystal structure on the magnetism, electronic structure and thermodynamics in the Gd 5 (Si x Ge 1−x ) 4 system near x =0.5
journal, February 2003

Exchange coupling in pure hcp Gd and magnetostructural transition in Gd5(Si2Ge2)
journal, May 2005

Crystallography, anisotropic metamagnetism, and magnetocaloric effect in ${Tb}_{5} {Si}_{2.2} {Ge}_{1.8}$
journal, January 2007

Magnetic-field-induced structural phase transition in ${Gd}_{5} {(S i}_{1.8} {Ge}_{2.2})$
journal, December 1998

Magnetic phase transitions and ferromagnetic short-range correlations in single-crystal ${Tb}_{5} {Si}_{2.2} {Ge}_{1.8}$
journal, July 2008

Magnetic and structural transitions in ${Dy}_{5} {Si}_{3} Ge$
journal, September 2007

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

Magnetic Disorder as a First-Order Phase Transformation
journal, April 1962

Origins of ferromagnetism and antiferromagnetism in Gd ₅ Ge ₄
journal, May 2008

Effect of Si doping and applied pressure upon magnetostructural properties of Tb $_{5}$ (Si $_{x}$ Ge $_{1 - x}$ ) $_{4}$ magnetocaloric compounds
journal, March 2011

Magnetic-martensitic transition of ${Tb}_{5} {Si}_{2} {Ge}_{2}$ studied with neutron powder diffraction
journal, July 2003

The room temperature metastable/stable phase relationships in the pseudo-binary Gd5Si4–Gd5Ge4 system
journal, May 2002

Pressure Enhancement of the Giant Magnetocaloric Effect in ${T b}_{5} {S i}_{2} {G e}_{2}$
journal, September 2004

Magnetocaloric effect and magnetic refrigeration
journal, October 1999

Electronic structure and x-ray magnetic circular dichroism in Gd5(Si2Ge2)
journal, April 2003

Magnetic and structural phase diagram of ${Tb}_{5} ({Si}_{x} {Ge}_{1 - x})_{4}$
journal, February 2002

Recent developments in magnetocaloric materials
journal, May 2005

Magnetism of ${Gd}_{5} {Ge}_{4}$ from first principles
journal, March 2007

Electron correlation effects and magnetic ordering at the Gd(0001) surface
journal, April 2000

Controlling Magnetism of a Complex Metallic System Using Atomic Individualism
journal, August 2010

Magnetostructural transition in ${Gd}_{5} {Sb}_{0.5} {Ge}_{3.5}$
journal, November 2009

Multiplet effects in the electronic structure of heavy rare-earth metals
journal, June 2006

Magnetic field induced phase transitions in Gd5(Si1.95Ge2.05) single crystal and the anisotropic magnetocaloric effect
journal, May 2003

Magnetostructural transition in ${Gd}_{5} {Si}_{0.5} {Ge}_{3.5}$ : Magnetic and x-ray powder diffraction measurements, and theoretical calculations
journal, January 2008

Rare Earth Magnetism
book, June 1991

Magnetostructural properties of ${Ho}_{5} {({Si}_{0.8} {Ge}_{0.2})}_{4}$
journal, May 2010

Tunable magnetic regenerator alloys with a giant magnetocaloric effect for magnetic refrigeration from ∼20 to ∼290 K
journal, June 1997

Electronic structure of Gd5(Si, Ge)4
journal, July 2002

Magnetocaloric effect in Tb5(SixGe1−x)4
journal, August 2001

Band structure theory of magnetism in 3d-4f compounds
journal, May 1998

Decoupling of the Magnetic and Structural Transformations in ${E r}_{5} {S i}_{4}$
journal, November 2003

Influence of negative lattice expansion and metamagnetic transition on magnetic entropy change in the compound LaFe11.4Si1.6
journal, June 2001

Nature of the first-order antiferromagnetic-ferromagnetic transition in the Ge-rich magnetocaloric compounds ${Gd}_{5} ({Si}_{x} {Ge}_{1 - x})_{4}$
journal, July 2000

Magnetostructural transition in ${Ho}_{5} {Ge}_{4}$
journal, March 2009

Giant Magnetocaloric Effect in ${Gd}_{5} ({Si}_{2} {Ge}_{2})$
journal, June 1997

Making and Breaking Covalent Bonds across the Magnetic Transition in the Giant Magnetocaloric Material ${Gd}_{5} ({Si}_{2} {Ge}_{2})$
journal, May 2000

Neutron diffraction studies of the magnetoelastic compounds ${Tb}_{5} {Si}_{x} {Ge}_{4 - x}$ ( $x = 2.2$ and 2.5)
journal, September 2005

Hydrostatic pressure control of the magnetostructural phase transition in ${Gd}_{5} {Si}_{2} {Ge}_{2}$ single crystals
journal, July 2005

Polymorphism of ${Gd}_{5} {Si}_{2} {Ge}_{2}$ : The equivalence of temperature, magnetic field, and chemical and hydrostatic pressures
journal, May 2005

A local exchange-correlation potential for the spin polarized case. i
journal, July 1972

Massive Magnetic-Field-Induced Structural Transformation in ${G d}_{5} {G e}_{4}$ and the Nature of the Giant Magnetocaloric Effect
journal, November 2003

Electron correlation effects on the magnetostructural transition and magnetocaloric effect in ${Gd}_{5} {Si}_{2} {Ge}_{2}$
journal, April 2006

Anisotropy of the Magnetoresistance in ${G d}_{5} {S i}_{2} {G e}_{2}$
journal, November 2004