We studied the structural, electronic and magnetic properties of small Fen clusters (n¼2–7)

endohedrally doped in icosahedral C60 and C80 fullerenes using first principles calculations based on

the density ...

چکیده

در فاز (Cr, Mn, Fe, Co, Ni)3d ویژگیهای مغناطیسی زنجیرهی اتمی (نانوسیم) یک بعدی فلزات واسط

بررسی شد. (GGA) و شیب تعمیم یافته (ASA) در تقریب کرههای اتمی FPLMTO به روش (FM) فرومغناطیس

تغییرات گشتاور ...

Total energy calculations of the C70 fullerene nano-cage doped with transition metals, (TM¼Fe and Co

atoms), endohedrally, exohedrally, and substitutionally were performed using density functional

theory with ...

Structural, electronic and magnetic properties of the small Con clusters (n = 2–7) endohedrally doped

in C60 (Ih) and C82 (C2v) fullerenes were investigated using ab initio calculations based on the density

خصوصیات ساختاری، الکترونی و مغناطیسی نانو خوشه های مغناطیسی آهن و کبالت ( TMn; TM = Fe, Co; n=2-با استفاده از نظریه تابعی چگالی و تقریب شیب تعمیم یافته مورد مطالعه قرار گرفت. نتایج نشان میدهد که گشتاور مغناطیسی نانوخوشه ...

Total energy calculations of C60 nano-cage doped with transition metals (TM¼Fe and Co atoms)

endohedrally, exohedrally, and substitutionally were performed using the density functional theory

with the generalized ...