Theoretical study of the double doping of transition metals in GaN and ZnO: alloys and heterostructures

• Grant number: 07/01648-3
• Support Opportunities: Scholarships in Brazil - Master
• Start date: September 01, 2007
• End date: April 30, 2009
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Marcelo Marques
• Grantee: João Paulo Tommasatti Santos
• Host Institution: Instituto Tecnológico de Aeronáutica (ITA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil

Abstract

Recent discoveries, like the observation of ferromagnetism in diluted magnetic semiconductors (DMSs), allowed a large boost in the development of spintronics. This technology is based in the spin transport in semiconductors and can lead to a new generation of devices. If compared with conventional microelectronic devices, they would be more efficient, presenting reduced energy consumption and new functionalities. The success in the development of spintronics will certainly revolutionize the semiconductors industry. Together with the control of processes like the injection, detection and manipulation of spin, a key point for this technology is the development of new materials with the required specific properties, specially the DMSs. In this project we propose the study of the simultaneous doping with two distinct magnetic ions in the large gap semiconductors GaN and ZnO, forming a more complex DMS. This kind of approach is not common experimentally, but could provide DMSs with new properties and characteristics. The main one is the possibility of having an antiferromagnetic half-metal material (AFM-HM), which could create advantages when compared to standard DMSs. The primary objective proposed in this project is to determine the magnetic and electronic properties of these compounds. For that, we will perform first principle calculations based in the Density Functional Theory. From the results, it will be possible to verify if, and in what conditions, these compounds growth like bulk alloys or like digital magnetic heterostructures, can be considered AFM-HM.