Papers by Author: Jerzy Goraus

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Authors: Jerzy Goraus, Aleksandra Kolano-Burian, Łukasz Hawełek
Abstract: Ni2MnGa alloy exhibits significant magnetocaloric effect due to structural and magnetic transition, which take place at similar temperature range. In this report we present band structure calculations for Ni2MnGa doped with Cu performed within KKR-CPA scheme. We also calculated the estimated temperature of the magnetic transition as a function of dopant concentration within Mean-Field-Approach (MFA). Our calculations show that the Curie temperature increases with Cu doping in agreement with recent experimental data.
Authors: Jerzy Goraus, Paweł Maślankiewicz, Jacek Szade
Abstract: Band structure calculations for EuCo2X2 (X = Si, Ge) and EuM5¬ (M = Ni, Cu) were performed using FP-LAPW and FPLO DFT codes. Correlations were taken into account within Around Mean Field (AMF) and Fully Localized Limit (FLL) approaches. Antiferromagnetic supercell was constructed for EuCo2X2. Several exchange-correlation potentials were used for EuM5. Equilibrium lattice parameters were calculated for EuM5 and used to study the magnetic properties. Calculated europium valence is between 2.3 and 2.5 and slightly higher for EuNi5 and EuCo2Si2 than for EuCu5 and EuCo2Ge2. LSDA+U calculations within the AMF double-counting scheme are in better agreement with photoemission data than calculations using the FLL approach.
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