@article{(Open Science Index):https://publications.waset.org/pdf/10001452, title = {First-Principles Investigation of the Structural and Electronic Properties of Mg1-xBixO}, author = {G. P. Abdel Rahim and M. María Guadalupe Moreno Armenta and Jairo Arbey Rodriguez}, country = {}, institution = {}, abstract = {We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the cesium chloride (CsCl), zinc-blende (ZnS), nickel arsenide (NiAs) NaCl (rock-salt) and WZ (wurtzite) phases. We calculated. The calculations were performed using the first-principles pseudo-potential method within the framework of spin density functional theory (DFT).}, journal = {International Journal of Environmental and Ecological Engineering}, volume = {9}, number = {5}, year = {2015}, pages = {572 - 578}, ee = {https://publications.waset.org/pdf/10001452}, url = {https://publications.waset.org/vol/101}, bibsource = {https://publications.waset.org/}, issn = {eISSN: 1307-6892}, publisher = {World Academy of Science, Engineering and Technology}, index = {Open Science Index 101, 2015}, }