12326

11290

كارشناسي ارشد

ماده چگال محاسباتي

اصفهان: دانشگاه صنعتي اصفهان، دانشكده فيزيك

1395

ج، 72ص.: مصور، جدول، نمودار

ص. ع. به فارسي و انگليسي

جواد هاشمي فر

اسماعيل عبدالحسيني سارسري

مجتبي اعلايي، نفيسه رضائي

1396/01/19

كتابنامه

فيزيك

فيزيك

ID11290

Investigation of the surface reconstruction effects on the electronic and magnetic properties of CaN monolayer on Si 001 Vajiheh Nasr Isfahani v nasresfahani@ph iut ac ir 15 01 2017 Department of physics Isfahan University of Technology Isfahan 84156 83111 Iran Degree M Sc Language Farsi Supervisor Prof S J Hashemifar hashemifar@cc iut ac irABSTRACT Ferromagnetic semiconductor junctions are very attractive in the science and technology ofSpintronics Among various classes of ferromagnets half metals are under special attention because oftheir high potential for spin injection into semiconductors CaN crystal in metastable zinc blende structure because of incomplete occupation of the anion p orbital is a half metallic ferromagnet and thus its thinfilms may be proper sources for spin injection into Si semiconductor In this research density functionalcomputations are used to investigate CaN Si 001 junction and the effects of surface reconstruction on theelectronic and magnetic properties of a CaN monolayer on the Si 001 surface The most stablereconstruction pattern was argued to be c 4 2 and then a CaN monolayer are put on this surface byconsidering two terminations and probable configurations The obtained results indicate nonmagneticbehavior of all investigated interface configurations In order to study non stoichiometric interfaceconfigurations we added some nitrogen atoms to the stable stoichiometric configuration and relaxed againthe system It was found that the systems including 4 and 6 extra nitrogen atoms per c 4 2 surface unitcell may exhibit magnetic property Keywords Half metal ferromagnetism surface reconstruction surface of Si 001 density functional theorycalculations

جواد هاشمي فر

اسماعيل عبدالحسيني سارسري

مجتبي اعلايي، نفيسه رضائي