1)  N-Al co-doped
					
	
					
				
				
	
					
				N-Al共掺ZnO
			
					2)  N-Al codoped ZnO thin films
					
	
					
				
				
	
					
				N-Al共掺ZnO薄膜
			
					3)  N-Al co-doping
					
	
					
				
				
	
					
				N-Al共掺
			
					4)  In-N codoped wurtzite ZnO
					
	
					
				
				
	
					
				In-N共掺杂ZnO
				1.
					The electronic structure of pure N-doped and In-N codoped wurtzite ZnO has been calculated by using first-principles ultra-soft pseudo-potential approach of the plane wave based upon the density functional theory,and the structure change,bandstructure,density of states,difference charge density and the influence of In-N codoped wurtzite ZnO by H atom were studied.
						
						采用基于密度泛函理论(DFT)的第一性原理平面波超软赝势方法计算了纤锌矿ZnO,N掺杂和In-N共掺杂ZnO晶体的电子结构,分析了N掺杂和In-N共掺杂ZnO晶体的能带结构、电子态密度、差分电荷分布以及H原子对In-N共掺杂ZnO的影响。
					
					5)  Ag-Al codoped wurtzite ZnO
					
	
					
				
				
	
					
				Ag-Al共掺杂ZnO
				1.
					The electronic structure of pure Ag-doped and Ag-Al codoped wurtzite ZnO has been calculated by using first-principles ultra-soft pseudo-potential approach of the plane wave based upon the density functional theory,and the structure change, bandstructure,density of states and the influence of Ag-Al codoped wurtzite ZnO.
						
						采用基于密度泛函理论(DFT)的第一性原理平面波超软赝势方法计算了纤锌矿ZnO,Ag掺杂和Ag-Al共掺杂ZnO晶体的电子结构,分析了Ag掺杂和Ag-Al共掺杂ZnO晶体的能带结构、电子态密度。
					补充资料:掺掺
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		说明:补充资料仅用于学习参考,请勿用于其它任何用途。
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