Different behaviors of half-metallic ferromagnetism of Cr-doped AlN and InN

Abstract

The electronic structure and magnetism are studied for the zinc-blende and wurtzite (Al,Cr)N, (Ga,Cr)N and (In,Cr)N by using the full potential linear muffin-tin orbital method. The energy gap (quasi-gap) in Cr-doped wurtzite InN decreases exponentially with increasing the Cr concentration from 0.027 to 0.166. The half-metallicity is retained in the whole range of concentrations considered, whereas for (Al,Cr)N, the half-metallic character disappears at a concentration of 0.166. The Cr magnetic moment in AlN is about 2.12-2.40µ B Cr atom −1 with changing the Cr concentration, and for Cr in InN, it is a nearly constant value of 3.0 µ B Cr atom −1 .

Effects of Nitrogen Defect on Magnetism of Cu-doped InN: First-principles Calculations

“…2, it can be seen that the E F enters into the top of valence band in spin down channel, while spin up one exhibit semiconducting behaviors, suggesting half-metallic properties with 100% spin polarized current at the E F . It is close to that of Cr-doped InN in the other calculations [22]. The spin polarization mainly comes from the p-d hybridized states of N 2p and Cu 3d electrons, while N 2s and In 4d contribute relatively less.…”

“…E tot (In,N) is the total energy of perfect InN without the V N site, E tot (In), E tot (Cu), and E tot (N) are that of an isolated In, Cu and N atoms. The s 22 two Cu-doped InN. Fig.…”

Electronic Structure and Magnetic Moments of Copper-atom in/on GaN Semiconductor

“…Group III-nitrides with magnetic dopants [1][2][3][4][5][6][7][8][9], such as 3d transition-metals of V, Cr, Mn, Fe, Co, and Ni, have attracted considerable interest due to their potential applications in spintronics devices that utilize both the charge and spin of electrons to create new functionalities beyond conventional semiconductors. Ideal diluted magnetic semiconductors (DMSs) should exhibit ferromagnetism at room temperature for practical applications and have a homogeneous distribution of magnetic dopants.…”