Vildosola, V., A. M. Llois, and J. G. Sereni. "Influence of 4f hybridization on the structural and electronic properties of CeM2Si2 (M=Ru, Rh, and Pd)." Physcal Review B 69, no. 12 (2004): 125116.
Abstract: We present full potential ab initio calculations to study structural and electronic properties of CeM2Si2 with M=Ru, Rh, and Pd. Two kind of calculations are performed: one considering the 4f states as hybridized ones and another simulating Cc systems with nonhybridized 4f states. We calculate the hybridization function and analyze the influence of the 4f states on structural properties such as equilibrium volume, c/a ratio, and bulk modulus and study their evolution together with that of the spin magnetic moment under applied hydrostatic pressure. The results are compared with experimental data.
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Vildosola, V. L., A. M. Llois, M. Weissmann, and J. G. Sereni. "Magnetic behaviour of Ce(Pd1-xMx) compounds (M = Rh, Ni and Ag) within the LDA approximation." Journal of Magnetism and Magnetic Materials 236, no. 1-2 (2001): 6–8.
Abstract: Ce intermetallic compounds have been intensively studied in the last few decades due to the large variety of behaviours they exhibit. In particular, two ways of demagnetizing Ce have been experimentally tried within the ferromagnetic systems Ce(Pd1-xMx), namely through electronic concentration variations (M=Rh) and volume reductions (M=Ni). On the other hand, when Pd is substituted by Ag, a transformation from a ferromagnetic to an antiferromagnetic ground state has been observed. In this work, we analyse the evolution of the magnetism of Ce in the above-mentioned family of compounds by calculating the spin contribution to magnetism that results from spin polarised LDA calculations. (C) 2001 Elsevier Science B.V. All rights reserved.
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