AB INITIO STUDY OF COBALT MAGNETISM ALONG THE TETRAGONAL DEFORMATION PATHS

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Authors	ZELENÝ Martin LEGUT Dominik ŠOB Mojmír
Year of publication	2005
Type	Article in Proceedings
Conference	Víceúrovňový design pokrokových materiálů 05 - sborník doktorské konference
MU Faculty or unit	Faculty of Science
Citation
Field	Solid matter physics and magnetism
Keywords	electronic structure; magnetism; displacive transformation paths
Description	We present a study of magnetic behavior of cobalt along the tetragonal deformation path at various atomic volumes. The total energies are calculated by full-potential linearized augmented plane waves (FLAPW) method incorporated in the WIEN2k code. Calculated total energies are displayed in contour plots as functions of tetragonal distortion and volume. Borderlines between various magnetic phases are shown.
Related projects:	Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds Physical and chemical properties of advanced materials and structures Multiscale design of advanced materials