Effects of substitutions of C atoms by Al and N in the w-AlN compound

3rd International Meeting for Researchers in Materials and Plasma Technology; 1st Symposium on Nanoscience and Nanotechnology

物理学;材料科学

Murillo, J.F.^1 ; Ortega, C.^1 ; Espitia, M.J.^2

Universidad de Córdoba, Montería, Colombia^1

Universidad Distrital Francisco Joséde Caldas, Bogotá, Colombia^2

关键词: Ab initio calculations;    Carbon substitution;    Density of state;    Electronic and magnetic properties;    Pseudopotentials;    Spintronics application;    Structural parameter;    Wurtzite phase;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/687/1/012114/pdf
DOI  :  10.1088/1742-6596/687/1/012114

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

We present ab-initio calculations in the pseudopotential approximation for the carbon atoms substitutions by aluminium and nitrogen sites at the AlN compound in wurtzite phase. Structural parameters for the AlN with and without carbon were optimized. Subsequently, the electronic and magnetic properties are determined by the density of states (DOS). Also it was determined that Carbon substitutions (AlN:C) are quite stable. This substitution exhibits magnetic properties, indicating that these compounds are good candidates for possible application in diluted magnetic semiconductors, spin injectors, and other spintronics applications.