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Ab Initio Local Density Approximation Description of the Electronic Properties of Zinc Blende Cadmium Sulfide (zb-CdS)
Electronic Properties Zinc Blende Cadmium Sulfide (zb-CdS)
2010/11/18
Self-consistent ab- initio electronic energy band structure of zinc blende CdS are reported
within the local density functional (LDF) formalism. Our first principle, non-relativistic and
ground stat...
Ab Initio Study of Half-Metallic Feature and Electronic Structure of A2FeMoO6 (A=Ba,Ca) Magnetic System
Electronic structure Half metallic Complex Perovskite
2010/9/29
We report several ab initio calculations performed over the A2FeMoO6 (A=Ba, Ca) double perovskite. Results show that it is an insulator for the spin up orientation and conductor for the other one. We ...