Koya University Researcher Dr. Akram Hashim Taha Lecturer at the faculty of Science and Health, Department of Physics has published a new research paper on the properties of Aluminum Antimony nanocrystals and its electronic and some of solid state properties. The article is appeared in the American Journal of Condensed Matter Physics, Volume 4, Issue4, 2014, Pages 63 to 70, undert titel "Electronic Structure Simulation of Aluminum Antimony Nanocrystal Using Ab-initio Density Functional Theorycoupled with Large Unit Cell Method".
The core finding of this research work includes: the simulated properties of AlSb nanocrystals has been calculated for this important compound. The study showed different properties than bulk AlSb compound. The ab-initio calculation was carried out to find these properties using the Gaussian 03 software package. The energy gap, total energy, cohesive energy and density of states.
Keywords: Density functional theory, AlSb nanocrystals, Large unit cell, Ab-initio
Cite this paper: Akram Hashim Taha, Electronic Structure Simulation of Aluminum Antimony Nanocrystal Using Ab-initio Density Functional Theorycoupled with Large Unit Cell Method, American Journal of Condensed Matter Physics, Vol. 4 No. 4, 2014, pp. 63-70. doi: 10.5923/j.ajcmp.20140404.01.
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