First principle study on Strontium Magnates (SrMnO3): Electronic Structure, Magnetic Properties and Lattice Instability of SrMnO3 - Softcover

Legesse Belayneh, Merid

Softcover

ISBN 10: 3659429082 ISBN 13: 9783659429088

Publisher: LAP LAMBERT Academic Publishing, 2013

Synopsis

The electronic structure and magnetic properties of cubic and hexagonal SrMnO3 are calculated using QuantumESPRESSO package within density functional theory in generalized gradient approximation GGA and GGA+U. The structural and electronic properties are obtained for several different possible magnetic configurations. In cubic and hexagonal cases the ground states show AF ordering. The GGA+U giving insulating properties paramagnetic and ferromagnetic for both phases better than GGA but in the cases of cubic ferromagnetic the system treats as half metallic properties. This half metallic property may be interesting in connection with spintronics devices if the hypothetical ferromagnetic configuration can be stabilized. The phonon result of ferromagnetic cubic SrMnO3 clearly indicates the presence of instability in the phases and a good indication of existent of other phases more sable than this cubic ferromagnetic phases.

About this title

About the Author

I was born in Addis Ababa (Ethiopia) in 1986. I have graduated with B.Sc. Degree in Chemistry from Debub University, M.Sc. Degree in Materials Science from Addis Ababa University and Pre-PhD diploma in Physics from International Center of Theoretical Physics (ICTP). Currently I am PhD student in University College Cork.

Edition details

• Publisher: LAP LAMBERT Academic Publishing
• Publication date: 2013
• Language: English
• ISBN 10: 3659429082
• ISBN 13: 9783659429088
• Binding: Paperback
• Number of pages: 88