0026-2714/$ - see front matter Ó 2006 Published by Elsevier Ltd. doi:10.1016/j.microrel.2006.08.006 Microelectronics Reliability 46 (2006) 1747–1749 www.elsevier.com/locate/microrel Prospects on Mn-doped ZnGeP 2 for spintronics A.V. Krivosheeva a,b* , V.L. Shaposhnikov a , V.V. Lyskouski a , V.E. Borisenko a , F. Arnaud d’Avitaya b , J.-L. Lazzari b a Belarusian State University of Informatics and Radioelectronics, P. Browka 6, 220013 Minsk, Belarus b Centre de Recherche en Matière Condensée et Nanosciences, CRMC-N**, UPR-CNRS 7251, Campus de Luminy, Case 913, 13288 Marseille cedex 9, France Abstract Magnetic impurities in ternary semiconductors could spectacularly change its properties. To better understand the Mn effects, we have performed theoretical calculations of the atomic structure and electronic properties of Mn- doped ZnGeP 2 chalcopyrite. The influence of the concentration and location of impurity atoms on magnetic properties is analysed. The possibilities of spintronic applications of the material are discussed. *Corresponding author. anna@nano.bsuir.edu.by Tel: +375 (17) 293 8869; Fax: +375 (17) 293 8869 ** Laboratory associated with the Université de la Méditerranée and the Université Paul Cézanne 1. Introduction Recent growing interest to ternary A II B IV C V 2 semiconducting compounds is caused by searching of new materials for spintronics [1], which supposes both charge and spin properties to be used for information processing. Some of these compounds demonstrate magnetic properties when they are doped by magnetic impurities. Recent studies have shown that doping of A II B IV C V 2 chalcopyrite ternaries by high doses of Mn leads to an appearance of ferromagnetism [2-7]. Such materials have lattice parameters close to substrates of interest such as Si, Ge and GaAs. This new class of materials, magnetic semiconductors, which are both semiconducting and ferromagnetic (FM), seems to be very promising for spintronic applications. Their room temperature ferromagnetism makes these compounds more attractive in comparison with their binary analogs from A II B V and A III B V groups. Another advantage of such systems is that Mn can easy substitute atoms of the II-nd group without formation of structural defects, so high concentration of Mn atoms could be reached in equilibrium conditions. To understand the role of Mn in the appearance of ferromagnetism in ternary semiconductors, calculations of electronic and magnetic properties of ZnGeP 2 compound doped with different concentrations of Mn atoms were performed. 2. Computational details The tetragonal chalcopyrite structure of ZnGeP 2 can be considered as derived from the doubled cubic zinc-blend structure, in which some of the II-nd group