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Publikováno v:
Physica B: Condensed Matter. 411:1-6
The structural and electronic properties of ScxAl1−xN ternary semiconductor alloys are investigated in the rocksalt, zinc blend and wurtzite structures using the full potential linear muffin tin orbitals (FP-LMTO) method. The local density approxim
Publikováno v:
Physica B: Condensed Matter. 406:3836-3840
By full potential linear muffin-tin orbitals (FP-LMTO) method, we have studied the phase transitions of ScN under high pressures. The local density (LDA) approximation was used for the exchange and correlation energy density functional. The most impo