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Phys. Rev. B 77, 125211 (2008) [4 pages]

Magnetic properties of carbon doped CdS: A first-principles and Monte Carlo study

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Hui Pan and Yuan Ping Feng*
Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542, Singapore

Qin Yun Wu and Zhi Gao Huang
Department of Physics, Fujian Normal University, Fuzhou 350007, People’s Republic of China

Jianyi Lin
Institute of Chemical and Engineering Sciences, 1 Pesek Road, Jurong Island, Singapore 627833, Singapore

Received 26 November 2007; published 13 March 2008

Carbon doping of CdS is studied using first-principles 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 spin-polarized state with a magnetic moment of 1.22μB. Ferromagnetic coupling is generally observed between these magnetic moments. A transition temperature of 270 K is predicted through Monte Carlo simulation. The ferromagnetism of C doped CdS can be explained by the hole-mediated double exchange mechanism.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.77.125211
DOI:
10.1103/PhysRevB.77.125211
PACS:
74.25.Ha, 31.15.A−, 05.10.Ln, 71.15.−m

*Corresponding author: phyfyp@nus.edu.sg

 
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