Magnetic properties of carbon doped CdS: A firstprinciples and Monte Carlo study
Abstract
Carbon doping of CdS is studied using firstprinciples calculations and Monte Carlo simulation. Our calculations predict ferromagnetism in C doped CdS, resulting from carbon substitution of sulfur. A single carbon substitution of sulfur favors a spinpolarized state with a magnetic moment of 1.22μ_{B} . Ferromagnetic coupling is generally observed between these magnetic moments. A transition temperature of 270K is predicted through Monte Carlo simulation. The ferromagnetism of C doped CdS can be explained by the holemediated double exchange mechanism.
 Publication:

Physical Review B
 Pub Date:
 March 2008
 DOI:
 10.1103/PhysRevB.77.125211
 Bibcode:
 2008PhRvB..77l5211P
 Keywords:

 74.25.Ha;
 31.15.A;
 05.10.Ln;
 71.15.m;
 Magnetic properties;
 Ab initio calculations;
 Monte Carlo methods;
 Methods of electronic structure calculations