Ab initio-Monte Carlo Studies on Magnetic Properties of Tetragonal L10 Ordered 3d/Au Superlattices

Jian-Tao Wang^1,2,*, Ding-Sheng Wang¹ and Yoshiyuki Kawazoe²

 

¹Institute of Physics, Chinese Academy of Sciences, Beijing 100080, P.R.China
²Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan

Abtract

3d/Au (3d = V, Cr, Mn, Fe, Co, Ni) superlattices with tetragonal L1₀ ordered structure are studied by means of the self-consistent full-potential linearized augmented-plane-wave method under the generalized gradient approximation. It is shown that the ground state magnetic configuration changes from intra-layer antiferromagnetic to ferromagnetic with increasing 3d electron number from VAu to NiAu. Based on a Heisenberg model with exchange parameters extracted from ab initio calculations, Monte Carlo simulations are carried out to study the finite-temperature properties. Curie temperature and Néel temperature are obtained and discussed in connection with the 3d electrons filling. 

(Received May 7, 2003; Accepted June 12, 2003) 

 ^*E-mail address: wjt@aphy.iphy.ac.cn 

https://www.jim.or.jp/journal/e/pdf3/44/08/1529.pdf 

REFERENCES  https://www.jim.or.jp/journal/e/44/08/1529.html