A first－principles study on the magnetism of Na －doped InN
ZHENG Huiling
HAN Hecheng
XU Chunyan
Abstract：The electronic structure and magnetism of Na －doped InN are investigated by using first －princi－ples calculations based on density functional theory.The results show that Na －doped InN is p－type doping.The magnetic moment induced by a doping Na is 2.0 μB.The moment mainly comes from the 2p orbitals of the N at－oms, among which the moments of the first four neighboring N atoms around the doping Na atoms are the biggest . The calculated DOS and spin density distribution show that the magnetic coupling between the moments induced by two Na is long－range ferromagnetic due to the p －p hybridization interaction of the N atoms between the two dop－ants Na.
Keywords：InNmagnetismFirst－principles
Publication Date：2019-01-01
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：6( 244-249 )