Dresden 2003 – scientific programme

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TT: Tiefe Temperaturen

TT 11: Postersitzung II (Metall-Isolator-Überg
änge, Phasenüberg
änge in Quantensystemen, Theorie: Systeme korrelierter Elektronen)

TT 11.32: Poster

Tuesday, March 25, 2003, 14:30–19:00, P2c, P2d

Spin-singlet nature of various dimerized cuprates. From ab-initio to experiment. — •Roser Valenti¹, T. Saha-Dasgupta², and Claudius Gros¹ — ¹Fakultät 7, Theoretische Physik, Universität des Saarlandes — ²S.N. Bose National Centre for Basic Sciences, Kolkata, India

We investigate by means of ab-initio electronic structure analysis and quantum Monte Carlo calculations the scenario where longer-ranged magnetic interactions dominate over short-ranged interactions in the physical description of compounds. This question is discussed, in particular, for the case of CaCuGe₂O₆ -a system related to the spin-Peierls compound CuGeO₃- and the isotructural quantum spin systems KCuCl₃ and TlCuCl₃.

R. Valenti, T. Saha-Dasgupta and C. Gros, Phys. Rev. B 66, 054426 (2002).

T. Saha-Dasgupta and R. Valenti, Europhys. Lett. 60, 309 (2002).