Physics – Computational Physics
Scientific paper
2005-03-30
Physics
Computational Physics
9 pages, 3 figures
Scientific paper
10.1103/PhysRevLett.94.237201
We have investigated the electronic structure and magnetic properties of GdN as a function of unit cell volume. Based on the first-principles calculations of GdN, we observe that there is a transformation in conduction properties associated with the volume increase: first from halfmetallic to semi-metallic, then ultimately to semiconducting. We show that applying stress can alter the carrier concentration as well as mobility of the holes and electrons in the majority spin channel. In addition, we found that the exchange parameters depend strongly on lattice constant, thus the Curie temperature of this system can be enhanced by applying stress or doping impurities.
Dowben Peter A.
Duan Chun-Gang
Hardy J. R.
Liu Jinjie
Mei Wai-Ning
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