Title :
Ab initio calculation on group III ad-atoms diffusion on non-polar gallium nitride surface
Author :
Han Yan ; Zhiyin Gan ; Rongjun Zhang ; Yehua Weng
Author_Institution :
Sch. of Mech. & Electron. Eng., Wuhan Univ. of Technol., Wuhan, China
Abstract :
In order to understand the diffusion of group III ad-atoms (Al, Ga, In) on non-polar gallium nitrides surface, the first-principles calculations were performed using the Car-Parrinello molecular dynamics (CPMD) method. Our calculation results reveal that diffusion barriers of Aluminum ad-atom on non-polar gallium nitride surface is anisotropy, while the diffusion barriers of Gallium and Indium ad-atoms are isotropic.
Keywords :
III-V semiconductors; ab initio calculations; adsorption; aluminium; diffusion barriers; gallium; gallium compounds; indium; molecular dynamics method; surface diffusion; wide band gap semiconductors; Al; Car-Parrinello molecular dynamics method; Ga; GaN; In; ab initio calculation; aluminum adatom; diffusion barriers; first-principles calculations; gallium adatoms; group III adatom diffusion; indium adatoms; nonpolar gallium nitride surface; Adsorption; Aluminum; Epitaxial growth; Gallium; Gallium nitride; Microscopy; Surface waves;
Conference_Titel :
Solid State Lighting (ChinaSSL), 2013 10th China International Forum on
Conference_Location :
Beijing
Print_ISBN :
978-1-4799-2249-9
DOI :
10.1109/SSLCHINA.2013.7177358
