Center for Molecular Modeling - A. Barasinski

Multi-aspect modelling and quantum effects in molecular nanomagnets

Daria — Fri, 16 Nov 2012 19:03:01 +0000

G. Kamieniarz, M. Antkowiak, P. Sobczak, T. Slusarski, D.M. Tomecka, P. Kozlowski, A. Barasinski, A. Drzewinski, J. Klak, A. Bienko, J. Mrozinski, V. Bellini, F. Troiani, F. Manghi, M. Affronte, A. Olivieri, F. Tuna, G.A. Timco, R.E.P. Winpenny

ACTA PHYSICAE SUPERFICIERUM

2009

Abstract

Note:
Published while none of the authors are employed at UGent

Open Access version available at UGent repository

DOI

http://dx.doi.org/

Anisotropy, geometric structure and frustration effects in molecule-based nanomagnets

Daria — Fri, 16 Nov 2012 18:54:17 +0000

G. Kamieniarz, P. Kozlowski, M. Antkowiak, P. Sobczak, T. Slusarski, D.M. Tomecka, A. Barasinski, B. Brzostowski, A. Drzewinski, A. Bienko, J. Mrozinski

Acta Physica Polonica A

121, 5-6, 992-998

2011

Published while none of the authors were employed at the CMM

Abstract

In this paper we review our results of comprehensive study of molecular nanomagnets recently synthesized in the form of the chromium-based molecules and bimetallic copper-containing chains as well as we present some new findings. We focus on effects of anisotropy, geometry and frustration appearing in various thermodynamic properties of the nanoscale magnets which are described by Heisenberg-like spin models and simulated by accurate numerical methods. We show that bond-dependent exchange anisotropy is needed to model magnetic torque in the Cd-doped chromium ring. We argue that only in the limit of infinite rings (n -> infinity) frustration can be considered as the opposite to bipartiteness in the odd numbered (3

DOI

http://dx.doi.org/

Modelling - from molecules to megascale: general discussion

wim — Wed, 15 Feb 2017 12:28:15 +0000

B. Smit, P. Styring, W. Grant, G. Rochelle, F. Donat, J. Yao, M. Trusler, C. Adjiman, S. Lyth, J.S.M. Lee, T. Hills, P. Brandl, M. Gazzani, R. Cuellar-Franca, P. Fennell, D. Sutter, M. Bui, C. Scholes, G. Dowson, J. Gibbins, L. Joss, G. Maitland, S. Brandani, P. Garcia-Gutierrez, Y. Zhang, C. Muller, G. Jackson, R. Ocone, L. Joos, R. Bell, R. Graham, A. Barasinski

FARADAY DISCUSSIONS

2016

Modelling – from molecules to mega-scale: general discussion