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سی امین کنفرانس بین المللی مهندسی برق
Structural Stability and Electron Density Analysis of Doped Antimonene: A First-Principles Study
نویسندگان :
Arash Yazdanpanah Goharrizi
1
Peyman Saberi Parsa
2
1- دانشگاه شهید بهشتی
2- دانشگاه شهید بهشتی
کلمات کلیدی :
Antimonene،Doping،n-type semiconductor،p-type semiconductor،DFT
چکیده :
In this paper, the stability, electronic, and magnetic properties of doped antimonene were investigated using a first-principles Study. The thermodynamic parameters such as cohesive energy, binding energy, and charge transfer demonstrate that the doped structures are stable. The results of the band structure and the density of state indicate that the structure with group IV dopant is a p-type semiconductor, while the structure with group V is intrinsic and for group VI behaviors as n-type semiconductor. P-orbital of dopants and neighbor Sb atoms are the largest contribution to the magnetic moment changes near the Fermi level. For Si and S impurity atoms, the effective mass of structure for conduction band is more than for valence band, which shows that in these structures the carrier mobility of holes is more than electrons, while for p dopant the effective mass of valence band is more than the conduction band.
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