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Initial Investigation First principles based study

Initial Investigation First principles based study Surface energetics of clean, unreconstructed surfaces. Initial chemisorption pathway of ALD based oxide deposition . Surface dependent defect formation energies. Composite D.O.S. Initial results (GaAs)

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Initial Investigation First principles based study

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  1. Initial Investigation First principles based study Surface energetics of clean, unreconstructed surfaces. Initial chemisorption pathway of ALD based oxide deposition. Surface dependent defect formation energies. Composite D.O.S. Initial results (GaAs) (110) clean surface most stable energetically. H passivation unfavorable, OH passivation favorable energetically (111)B adsorbs Al(CH3)3 ‘better’ than (111)A – cue Self Cleaning effect? First principles based study of the dependence of Fermi Level Pinning on semiconductor surface orientation

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