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Ab-initio design of half-metallic fully-compensated ferrimagnets: the case of Cr$_2$MnZ (Z= P, As, Sb, Bi) compounds | | I. Galanakis
; K. Ozdogan
; E. Sasioglu
; B. Aktas
; | | Date: |
2 Mar 2007 | | Subject: | Materials Science | | Abstract: | Electronic structure calculations from first-principles are employed to design some new half-metallic fully-compensated ferrimagnets (or as they are widely known half-metallic antiferromagnets) susceptible of finding applications in spintronics. Cr$_2$MnZ (Z= P, As, Sb, Bi) compounds have 24 valence electrons per unit cell and calculations show that their total spin moment is approximately zero for a wide range of lattice constants in agreement with the Slater-Pauling behavior for ideal half-metals. Simultaneously, the spin magnetic moments of Cr and Mn atoms are antiparallel and the compounds are ferrimagnets. Mean-field approximation is employed to estimate their Curie temperature, which exceeds room temperature for the alloy with Sb. Our findings suggest that Cr$_2$MnSb is the compound of choice for further experimental investigations. Contrary to the alloys mentioned above half-metallic antiferromagnetism is unstable in the case of the Cr$_2$FeZ (Z= Si, Ge, Sn) alloys. | | Source: | arXiv, cond-mat/0703078 | | Services: | Forum | Review | PDF | Favorites | |
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