Grzegorz Kamieniarz

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The complementary Monte Carlo and series expansions methods of computer simulations have been described to investigate the critical behaviour of the Ashkin-Teller model in three dimensions. In the first method the invariance of the ratio of the square of the second moment of the order parameter to its fourth moment in the critical region has been exploited(More)
A comprehensive study of electronic and magnetic properties of Cr8F8Piv16 (HPiv = pivalic acid, trimethyl acetic acid) molecular ring is presented. The total, local and orbital projected density of states are calculated by the first principle density functional theory calculations using the package SIESTA. The original molecule has been approximated by(More)
Monte Carlo simulations in the three-dimensional (3D) Ashkin-Teller model on a cubic lattice are performed in the regions of the two-parameter space diagram where Ising-type phase transitions are expected. The scaling behavior of the Binder cumulant Q and the magnetic susceptibility in the critical region are exploited. In simulations the periodic boundary(More)
We present a comprehensive study of magnetic properties of Cr8F8(Piv)16 molecular ring (in short Cr8) using the package SIESTA with several choices of chromium pseudopotential parameters. We use generalized gradient approximation to investigate properties of Cr8 ring approximated by replacing the pivallic group by H atoms (hydrogen saturation). For di erent(More)
Two tetranuclear mixed-valent clusters, [MnMn(III)Cl(Ph3CCOO)4(CH3OCH2CH2O)4(CH3CN)]·0.4C6H5CH3·0.6CH3CN () with an unprecedented [MnMn(III)] core and [MnMnCl4(CH3OCH2CH2O)6] (), were synthesized and characterized by single-crystal X-ray diffraction and magnetic measurements. Their properties were analyzed in the framework of phenomenological modelling and(More)
In order to verify two microscopic models of the molecular nanomagnet Cr7Cd we analyze a number of thermodynamic quantities calculated for two sets of parameters. The first model, with only single ion anisotropy, was established on the basis of the thermodynamic properties (by fitting susceptibility and magnetization) whereas the second, with single ion and(More)
Finite size nanoscopic systems are very interesting for being halfway between atoms and bulk systems. In this category molecular magnets play very important role in fundamental physics since these systems have shown new magnetic and electronic futures and revealed to be promising for possible applications in quantum computing and magnetoelectronics. Among(More)