TY - JOUR
T1 - Ab initio study of ferromagnetism in Ga1-xCrxN thin films
AU - Wang, Q.
AU - Sun, Q.
AU - Jena, P.
AU - Yu, J. Z.
AU - Note, R.
AU - Kawazoe, Y.
PY - 2005/7/15
Y1 - 2005/7/15
N2 - Electronic structure and magnetic properties of Ga1-xCrxN thin films are studied using the gradient corrected density functional method and a supercell slab model. Calculations are carried out by varying the concentration of doped Cr atoms and the sites they occupy. Cr atoms are found to prefer to reside on the surface sites and cluster around N as Mn atoms do. However, unlike Mn-doped GaN, Cr-doped GaN is found to be ferromagnetic for all concentrations studied. The calculated ferromagnetism is in agreement with recent experimental observations.
AB - Electronic structure and magnetic properties of Ga1-xCrxN thin films are studied using the gradient corrected density functional method and a supercell slab model. Calculations are carried out by varying the concentration of doped Cr atoms and the sites they occupy. Cr atoms are found to prefer to reside on the surface sites and cluster around N as Mn atoms do. However, unlike Mn-doped GaN, Cr-doped GaN is found to be ferromagnetic for all concentrations studied. The calculated ferromagnetism is in agreement with recent experimental observations.
UR - http://www.scopus.com/inward/record.url?scp=33749233662&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33749233662&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.72.045435
DO - 10.1103/PhysRevB.72.045435
M3 - Article
AN - SCOPUS:33749233662
SN - 1098-0121
VL - 72
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 4
M1 - 045435
ER -