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www-f1.ijs.si/ ~bonca LAW3M-05 Janez Bonča Janez Bonča Physics Department, FMF, University of Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA SLOVENIA Thermodynamic Properties of the Shastry Sutherland Model
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bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Page 1: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Janez BončaJanez Bonča

Physics Department, FMF, University of Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, Ljubljana, J. Stefan Institute, Ljubljana,

SLOVENIASLOVENIA

Thermodynamic Properties of the Shastry Sutherland Model

Page 2: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Collaborators:

S. El Shawish and I. Sega, J. Stefan Inst., Ljubljana, Slovenia

C. D. Batista, M. Jaime, N. Harrison, G.A. Jorge, LANL T-11, NHMFL, USA

R. Stern, NICPB, Tallin, Estonia

H.A. Dabkowska, B.D. Gaulin, Mc Master Univ., Hamilton, Canada

Page 3: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Introduction

Structure and symmetry properties of SrCu2(BO3)2

The Sutherlad Shastry model Finite Temperature Lanczos method Specific heath results and comparison

with experiment Spin structure factor at zero and finite

temperatures and comparison with ESR and INS measurements

Finite doping with nonmagnetic impurities

Page 4: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

SrCu2(BO3)2

Page 5: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

SrCu2(BO3)2

Page 6: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Space group of the CuBO3 plane:

Point group:

Including time-reversal

at H=0:

H>0:

Page 7: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Shastry-Sutherland model:

Shastry & Sutherland

Physica 108B (1981) 1069

Page 8: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Complete model:

Ts<395K

Page 9: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Symmetry of DM term 1

2

y

x

x

y

Inversion Symmetry:

Mirror Symmetry:

Page 10: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Computation:

Allowed tilted square lattices:

Page 11: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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FTLM: High -T expansion

Thermal average over the canonical ensemble

Combination of high- temperature expansion and random sampling

J. Jaklič and P. Prelovšek, Adv. Phys. 49, 1 (2000).J. Jaklič and P. Prelovšek, Phys. Rev. Lett. 77, 892 (1996).J. Bonča and P. Prelovšek, Phys. Rev. B 67, 085103 (2002).

Page 12: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Thermodyamic properties:

Entropy density:

Specific heat:

Uniform susceptibility:

Page 13: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Model parameters

Page 14: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Uniform Susceptibility

T(K)

Page 15: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Specific heatG.A.Jorge, R.Stern, M. Jaime, N. Harrison, J. Bonča, S. El Shawish, C.D Batista, H.A. Dabkowska, and B.D. Gaulin,PRB 71, 092403,

(2005).

Page 16: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Energy spectrum

12

3

4

Page 17: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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ESR spectrumH. Nojiri, et al.,J. Phys. Soc. Jpn. 72, 3243 (2003).

Page 18: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Spin Structure Factor S. El Shwaish, J. Bonca, C.D.Batista, and I. Sega, PRB 71,

014413 (2005)

Non-symmetry breaking D:

Page 19: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Symmetry breaking D:

T=0

Page 20: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Effect of Dx and Dy terms

Page 21: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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B||c B||a

H. Nojiri, et al.,J. Phys. Soc. Jpn. 72, 3243 (2003).

Page 22: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Neutron Scattering

Knetter, PRL92, 027204 (2004)

Page 23: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Neutron Scattering

Comparison ofFTLM with:

Kageyama et al. PRL, 845876 (2000).

S. El Shawish, J. Bonča, and I. Sega,

PRB 72,184409 (2005).

Page 24: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Neutron Scattering

Comparison ofFTLM with:

B.D. Gaulin et al. PRL, 93267202 (2004).

S. El Shawish, J. Bonča, and I. Sega,

PRB 72,184409 (2005).

Page 25: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Neutron Scattering

Comparison ofFTLM with:

B.D. Gaulin et al. PRL, 93267202 (2004).

T=1.4K

FTLM results

Experiment

Page 26: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Neutron Scattering

Comparison ofFTLM with:

B.D. Gaulin et al. PRL, 93267202 (2004).

S. El Shawish, J. Bonča, and I. Sega,

PRB 72,184409 (2005).

Page 27: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

www-f1.ijs.si/~bonca LAW3M-05

Finite Doping Sr Cu2-xMx(BO3)2,

M=Zn,Mg

Leung & Cheng,PRB 69, 180403, (2005)

N=32, Nh=1

J’/J=0.62

Page 28: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Uniform susceptibility o

K.Kudo et al.cond-mat/0409178

Page 29: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Spin Structure Factor Sr Cu2-xMx(BO3)2, X=2n

Page 30: bonca LAW3M-05 Janez Bonča Physics Department, FMF, University of Ljubljana, J. Stefan Institute, Ljubljana, SLOVENIA Thermodynamic Properties.

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Conclusions

FT simulations of Cv show good agreement with experimental data when symmetry breaking DM term is of the order of Dz~5K. G.A.Jorge, R.Stern, M. Jaime, N. Harrison, J. Bonča, S. El Shawish, C.D Batista, H.A. Dabkowska, and B.D. Gaulin,PRB 71, 092403, (2005).

ESR spectra can be reproduced only with finite value of symmetry breaking Dz – open question (structural phase transition, phonons). S. El Shwaish, J. Bonca, C.D.Batista, and I. Sega, PRB 71, 014413 (2005).

Good agreement with neutron-scattering data. S. El Shawish, J. Bonča, and I. Sega, PRB 72,184409 (2005).

Results a finite doping show filling up of the spin gap.