Temperature dependence of transition‐metal magnetism

Autor:	K. Schwartzman, J. L. Fry, E. J. Hartford
Rok vydání:	1990
Předmět:	Brillouin zone Condensed Matter::Materials Science Paramagnetism Tight binding Condensed matter physics Ferromagnetism Chemistry Magnetism General Physics and Astronomy Curie temperature Antiferromagnetism Condensed Matter::Strongly Correlated Electrons Néel temperature
Zdroj:	Journal of Applied Physics. 67:4552-4554
ISSN:	1089-7550 0021-8979
DOI:	10.1063/1.344867
Popis:	A first‐principles tight‐binding formulation of the paramagnetic spin susceptibility is developed to study the temperature dependence of the magnetic properties of transition metals. The formulation, which includes many‐body enhancements, has been successful in predicting magnetic ground‐state properties. The present study introduces a temperature‐dependent analytical tetrahedron method to perform Brillouin zone sums, and employs accurate Slater–Koster band structures for convenience. Critical temperatures and the temperature dependence of the spin‐density wave characterizing antiferromagnetism are determined from instabilities of the paramagnetic state toward magnetic order. The Neel temperature of Cr and the Curie temperature of Fe found in this way are in good agreement with measured values. Nonzero critical temperatures are also found for alternate cubic structures of some transition metals, further supporting the prediction of ferromagnetism in bcc Mn, and antiferromagnetism in fcc Mn and expanded bcc Ti. The computed wave vector of the spin‐density wave of Cr is found to increase along the Δ line with increasing temperature following observed trends.
Databáze:	OpenAIRE
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