Title :
Conductivity and magnetic properties study on doped semiconductor material of 3C-SiC: A first-principle investigation
Author :
Sheng, Baicheng ; Niu, Mang ; Shao, Xiaohong
Author_Institution :
Coll. of Sci., Beijing Univ. of Chem. Technol., Beijing, China
Abstract :
Using the first-principles calculations, the geometrical and electronic structures, including lattice constant, band structure and density of state (DOS) of B, Al, Ga, V, Cr and Mn doped 3C-SiC are systematically calculated. Based on the result, the conductivity mechanism of p-type SiC (B, Al and Ga) is investigated. In addition, the magnetic properties of 3C-SiC doped with 3d-transition metals (V, Cr and Mn) are calculated. The results indicate that Cr doped 3C-SiC system exhibits more stable ferromagnetism and the ferromagnetism results from the exchange splitting of Cr-3d state.
Keywords :
ab initio calculations; aluminium; band structure; boron; chromium; electrical conductivity; electronic density of states; exchange interactions (electron); ferromagnetic materials; gallium; lattice constants; magnetic thin films; manganese; silicon compounds; vanadium; wide band gap semiconductors; 3C-SiC; 3d-transition metals; SiC:Al; SiC:B; SiC:Cr; SiC:Ga; SiC:Mn; SiC:V; band structure; conductivity; density of state; doped semiconductor material; electronic structures; exchange splitting; ferromagnetism; first-principles calculations; geometrical structures; lattice constant; magnetic properties; Conductivity; Doping; Magnetic properties; Manganese; Photonic band gap; Silicon; Silicon carbide; SiC; Transition metal (TM); VASP; doping; electronic structure;
Conference_Titel :
Electric Information and Control Engineering (ICEICE), 2011 International Conference on
Conference_Location :
Wuhan
Print_ISBN :
978-1-4244-8036-4
DOI :
10.1109/ICEICE.2011.5777405
