Investigation of electronic and magnetic properties of antiferromagnetic GdSb system by first principle and series expansions calculations

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• 作者：R. Masrour ; E.K. Hlil ; M. Hamedoun ; A. Benyoussef
• 关键词：GdSb ; Electronic and magnetic structure ; Magnetic moment ; DOS ; Exchange interactions ; HTSE ; Magnetic energies ; Critical exponents
• 刊名：Superlattices and Microstructures
• 出版年：March, 2014
• 年：2014
• 卷：67
• 期：Complete
• 页码：256-261
• 全文大小：376 K

文摘

The electronic structures and magnetic properties of many rare-earth GdSb are reviewed in this work. Self-consistent <em>ab initioem> calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the GdSb. Polarized spin and spin-orbit coupling are included in calculations within the framework of the antiferromagnetic state between Gd atoms in GdSb with face centered cubic (fcc) structure. Magnetic moment considered to lie along (1 1 1) axes are computed. Obtained data from <em>ab initioem> calculations are used as input for the High Temperature Series Expansions (HTSEs) calculations to compute other magnetic parameters.

The exchange interaction between the magnetic atoms Gd-Gd is given by using the Heisenberg model and mean field theory. The High Temperature Series Expansions (HTSEs) of the magnetic susceptibility of GdSb antiferromagnetic moment (<em>m_Gdem>) through GdSb is given up to <em>tenem>th order series versus of (<em>J/k_BTem>). The N茅el temperature <em>T_Nem> is obtained by HTSEs of the magnetic susceptibility series using the <em>Pad茅em> approximant method.