8032

7467

كارشناسي ارشد

ماده چگال

اصفهان: دانشگاه صنعتي اصفهان، دانشكده فيزيك

1391

نه،70ص.: مصور،جدول،نمودار

ص.ع.به فارسي و انگليسي

فرهاد فضيله

فرهاد شهبازي

21/7/92

مجتبي اعلايي، پيمان صاحب سرا

فيزيك

ID7467

به فارسي و انگليسي: قابل رويت در نسخه ديجيتالي

71 Study of the Electronic Structure of C60 Molecule and it s Linear Polymer Kobra Alizadeh Sadighi k alizadehsadighi@cc iut ac ir Date of Submission 2013 1 23 Department of Physics Isfahan University of Technology Isfahan 84156 83111 Iran Degree M Sc Language Farsi Supervisor fazileh@cc iut ac ir Abstract C60 nanostructures have received much attention recently for their potential applications in different fields such as superconductivity The nucleus to nucleus diameter of a C60 molecule is about 7 angstrom The structure of C60 is a truncated icosahedra Ih At room temperature C60 forms a close packed van der Waals crystal with face centered cubic Fm 3m structure Polymerization by the 2 2 cycloaddition mechanism has been observed in C60 doped with alkali metals or occurs easily also under High Pressure High Temperature conditions HPHT This polymer structure has high potential for transport properties In this project we obtained electronic properties of C60 fullerene with two different c c bond lengths within tight binding approximation and obtained those lengths within DFT approximation and then the electronic structure of a C60 polymer chain was studied based on the tight binding calculation including electrons in neutral state We found that the C60 chain polymer is semi conductive with a finite gap 0 35 eV and the conduction band of the neutral C60 chain polymer is not degenerate in agreement with other calculations Keywords C60 fullerene Electronic properties Linear C60 polymer Tight binding approximation PDF created with pdfFactory trial version www pdffactory com

فرهاد فضيله

فرهاد شهبازي

مجتبي اعلايي، پيمان صاحب سرا