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Work function and electronic structure of coherent Ag-Au interfaces
H. R. Gong * #
State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083, China
*Correspondence author
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Funding: 教育部博士点基金（No.20070533044）
Opened online:23 April 2009
Accepted by: none
Citation: H. R. Gong.Work function and electronic structure of coherent Ag-Au interfaces[OL]. [23 April 2009] http://en.paper.edu.cn/en_releasepaper/content/31646
 
 
First principles calculations reveal that coherent Ag-Au interfaces are energetically favorable with negative interface energies, signifying an intermixing tendency of Ag and Au. Calculations also show that for each Ag-Au interface two overlayers are needed to get converged work function and the interface dipole is formed due to an unequal loss of electrons from Ag and Au atoms. Moreover, densities of states suggest that a stronger chemical bonding is formed in Ag-Au interface than corresponding Ag or Au bulks.
Keywords:work function;electronic structure;Ag-Au interface;first principles calculation
 
 
 

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