Title :
Co/sub 2/MnX (X=Si, Ge, Sn) Heusler compounds: an ab-initio study
Author :
Picozzi, S. ; Continenza, A. ; Freeman, A.J.
Author_Institution :
Dipt. di Fisica, L´Aquila Univ., Italy
Abstract :
Summary form only given. All-electron full-potential linearized augmented plane wave (FLAPW) calculations have been performed for Co/sub 2/MnX (X=Si, Ge, Sn) Heusler compounds, focusing on structural, electronic and magnetic properties. The comparison between the local spin density approximation (LSDA) and the generalized gradient approximation (GGA) for the exchange-correlation functional shows that GGA is essential to give an accurate description of the equilibrium volumes and of the electronic and magnetic properties of these systems.
Keywords :
APW calculations; ab initio calculations; band model of magnetism; band structure; cobalt alloys; density functional theory; ferromagnetic materials; germanium alloys; manganese alloys; silicon alloys; tin alloys; Co/sub 2/MnGe; Co/sub 2/MnSi; Co/sub 2/MnSn; Co/sub 2/MnX Heusler compounds; FLAPW; GGA; LSDA; ab-initio study; all-electron full-potential linearized augmented plane wave; electronic properties; equilibrium volumes; exchange-correlation functional; generalized gradient approximation; local spin density approximation; magnetic properties; structural properties; Gallium arsenide; Legged locomotion; Magnetic materials; Magnetic moments; Magnetic properties; Magnetization; Semiconductivity; Springs; Tin;
Conference_Titel :
Magnetics Conference, 2002. INTERMAG Europe 2002. Digest of Technical Papers. 2002 IEEE International
Conference_Location :
Amsterdam, The Netherlands
Print_ISBN :
0-7803-7365-0
DOI :
10.1109/INTMAG.2002.1001331
