Pressure- Induced Phase Transitions, Electronic and Magnetic Properties of GdN

The electronic and the magnetic

properties of GdN in its three possible

crystal structures (RS, CsCl, and ZB) were

studied using the ab-intio Local Spin

Density (LSDA) and General Gradient

(GGA) Approximations. We have

calculated the bulk modulus and its

derivative from E(V) fitting curve using the

Murnghan EOS. We have predicted three

phase transitions: from ZB to RS, RS to

CsCl , and ZB to CsCl. We have studied

the density of states and the band

structures of GdN in its three phases and

found that GdN in ZB and RS structures

.behaves as a half-metallic