Magnetic properties of nitrogen doped ZnO

作者：Shi Li Bin^*; Jin Jian Wei; Zhang Tian Qian

来源：Chinese Physics B, 2010, 19(12): 127001.

DOI：10.1088/1674-1056/19/12/127001

• first principles
• semiconductor
• ferromagnetism
• strain

Using the first principle method based on density functional theory, this paper studies the electronic structure and the ferromagnetic stability in N-doped ZnO. The calculated results based on local density approximation (LDA) and LDA+U method show that ferromagnetism coupling between N atoms is more energetically favourable for eight geometrically distinct configurations. The dominant ferromagnetic interaction is due to the hybridization between O 2p and N 2p. The origin of the ferromagnetic state in N doped ZnO is discussed by analysing coupling between N 2p levels. We also analyse N dopant concentration and lattice strain effect on ferromagnetism.

• 出版日期2010-12
• 单位渤海大学