Thermomagnetic Properties of RAl2 (R=Rare Earth) Laves Phase Crystals. Simulated by ATOMIC MATTERS MFA Computation System

      Аннотация: In this book we present calculated properties of the RAl2 crystals obtained by using ATOMIC MATTERS MFA software. The results of our simulations were compared with available experimental data, mostly with excellent agreement. For over 10 years we have developed ATOMIC MATTERS - system for predicting spectral, magnetic and thermodynamic properties of solid materials in paramagnetic state according to quantum calculations of the fine electronic structure of ions/atoms under the influence of: Internal CEF (Crystal Electric Field), Spin-orbit coupling (L-S coupling) and Magnetic interactions with defined external magnetic field (Zeeman effect). ATOMIC MATTERS MFA is the extension of ATOMIC MATTERS software for simulations of material properties in ordered state and around the magnetic phase transition temperature according to Mean Field Approximation (self-consistent methodology). Atomic Matters MFA provides comprehensive thermal diagrams of: Energy level positions Ei(T,B), Magnetic moment in ordered state m(T,B), Magnetic Entropy S(T,B), Specific Heat c(T,B), Dedicated toolset for Magnetocaloric Effect - MCE studies and more. See our webpage: http://www.atomicmatters.eu

Ключевые слова: DyAl2, HoAl2, ErAl2, TbAl2, SmAl2, GdAl2, CEF, MFA, MCE, Atomic Matters, Atomic Matters MFA, CF, Crystal Field, Spin-Orbit coupling.