8418

7798

كارشناسي ارشد

ماده چگال

اصفهان: دانشگاه صنعتي اصفهان، دانشكده فيزيك

1392

نه،81ص.: مصور،جدول،نمودار

ص.ع.به فارسي و انگليسي

هادي اكبرزاده

جواد هاشمي فر

25/10/92

فرهاد شهبازي، فرهاد فضيله

فيزيك

ID7798

به فارسي و انگليسي: قابل رويت در نسخه ديجيتالي

Ab inito Study of p magnetism in CaN and CaC nanolayers on Cu 001 substrate Maedeh Zahedifar m zahedifar@ph iut ac ir 27 06 2013 Department of Physics Isfahan University of Technology Isfahan 84156 83111 Iran Degree M Sc Language FarsiSupervisor Prof H Akbarzadeh akbarzadeh@cc iut ac irAbstractObservation of p orbital magnetism in some compounds with no transition element has opened a newmagnetic field These compounds include some ionic binary alloys such as CaN and CaC In these twocompounds ferromagnetic behavior is accompanied with half metallic characteristic which is promisingfor Spintronics industry In this project density functional pseudo potential computations were performedto study the structural and magnetic properties of the rocksalt RS and zinc blend ZB structures of bulkCaC and CaN and their monolayer and bilayer on Cu 001 We observed that CaN exhibits half metallicferromagnetism in both RS and ZB structures while RS CaN is more stable and more stiff The structuralproperties of RS and ZB CaN and CaC monolayers are studied and the relative stability of differentinterface terminations and patterns were investigated and stable structures were identified In contrast to thebulk CaN the induced strain by Cu 001 substrate on CaN thin film effectively enhances stability of theZB CaN monolayers It was argued that the N terminated CaN monolayers on Cu 001 are non or weakmagnetic system with considerable lower energy than the Ca terminated monolayers exhibiting half metallic ferromagnetism This observation was attributed to the strong Cu N and Cu C and weak Cu Cabonding at the interface The climbing image nudged elastic band calculations indicated an activationbarrier of about 1 18 eV per CaN unit between the high energy ferromagnetic and the stable nonmagneticCaN monolayer on Cu 001 Therefore epitaxial growth of a Ca terminated CaN thin film on Cu 001 islikely a practical way to form a new half metal metal junction The magnetic and electronic properties of

هادي اكبرزاده

جواد هاشمي فر

فرهاد شهبازي، فرهاد فضيله