Electronic and magnetic properties of Cd-doped zigzag AlN nanoribbons from first principles  

作　　者：Razieh Beiranvand 

机构地区：[1]Physics Department, Faculty of Science and Engineering,Ayatollah Alozma Boroujerdi University, Boroujerd,Lorestan 167, Iran

出　　处：《Rare Metals》2016年第10期771-778,共8页稀有金属（英文版）

基　　金：financially supported by the Research of the Ayatollah Alozma Boroujerdi University(No. 92-1012)

摘　　要：The effect of Cd impurity on the electronic structure and magnetic properties of hydrogen-terminated AlN nanoribbons with zigzag edges （ZAINNRs） was in- vestigate using the band structure results obtained through the full potential linearized augmented plane wave （FP- LAPW） method within the density functional theory （DFT）. The exchange correlation potential was treated by the generalized gradient approximation within the Perdew scheme. The calculated results show that the H-terminated zigzag AlN nanoribbon is semiconducting and nonmag- netic material with a direct band gap of about 2.78 eV, while the Cd-doped H-terminated ZAlNNR structures show complete （100 %） spin polarization very close to the Fermi level, which will result in spin-anisotropic transport. The charge transport is totally dominated by Cd spin down electrons in the H-terminated ZAlNNR. These results suggest potential applications for the development of using the A1N nanoribbons in nanoelectronics and magnetoelec-tronic devices as a base.The effect of Cd impurity on the electronic structure and magnetic properties of hydrogen-terminated AlN nanoribbons with zigzag edges （ZAINNRs） was in- vestigate using the band structure results obtained through the full potential linearized augmented plane wave （FP- LAPW） method within the density functional theory （DFT）. The exchange correlation potential was treated by the generalized gradient approximation within the Perdew scheme. The calculated results show that the H-terminated zigzag AlN nanoribbon is semiconducting and nonmag- netic material with a direct band gap of about 2.78 eV, while the Cd-doped H-terminated ZAlNNR structures show complete （100 %） spin polarization very close to the Fermi level, which will result in spin-anisotropic transport. The charge transport is totally dominated by Cd spin down electrons in the H-terminated ZAlNNR. These results suggest potential applications for the development of using the A1N nanoribbons in nanoelectronics and magnetoelec-tronic devices as a base.

关 键 词：Electronic properties Zigzag AlN nanoribbon Magnetic properties Density functionaltheory Full potential linearized augmented plane wave 

分 类 号：TB383.1[一般工业技术—材料科学与工程]