L. Bekenov, S. V. Moklyak, B. F. Zhuravlev, Y. Kucherenko, V. Antonov
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引用次数: 0
Abstract
We study the electronic and magnetic properties of T2AlC (T = Ti and Cr) compounds in the density-functional theory using the generalized gradient approximation (GGA) with consideration of strong Coulomb correlations (GGA+U) in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital (LMTO) band-structure method. The X-ray absorption spectra and X-ray magnetic circular dichroism (XMCD) at the Cr L2,3 and Cr, Ti, and C K edges were investigated theoretically. The calculated results are in good agreement with experimental data. The effect of the electric quadrupole E2 and magnetic dipole M1 transitions at the Cr K edge has been investigated.
期刊介绍：
Condensed Matter Physics contains original and review articles in the field of statistical mechanics and thermodynamics of equilibrium and nonequilibrium processes, relativistic mechanics of interacting particle systems.The main attention is paid to physics of solid, liquid and amorphous systems, phase equilibria and phase transitions, thermal, structural, electric, magnetic and optical properties of condensed matter. Condensed Matter Physics is published quarterly.
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