Effects of molecular adsorption on optical losses of the Ag (111) surface

被引：11

作者：

Gavrilenko, A. V. ^{[1
]}

McKinney, C. S. ^{[1
]}

Gavrilenko, V. I. ^{[1
]}

机构：

[1] Norfolk State Univ, Ctr Mat Res, Norfolk, VA 23504 USA

来源：

PHYSICAL REVIEW B | 2010年 / 82卷 / 15期

关键词：

DENSITY-FUNCTIONAL THEORY; SEMICONDUCTORS;

D O I：

10.1103/PhysRevB.82.155426

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The first-principles density-functional theory is applied to study effects of molecular adsorption on optical losses of silver (111) surface. The ground states of the systems including water, methanol, and ethanol molecules adsorbed on Ag (111) surface were obtained by the total-energy minimization method within the local-density approximation. Optical functions were calculated within the random-phase approximation approach. Contribution of the surface states to optical losses was studied by calculations of the dielectric function of bare Ag (111) surface. Substantial modifications of the real and imaginary parts of the dielectric functions spectra in the near infrared and visible spectral regions, caused by surface states and molecular adsorption, were obtained. The results are discussed in comparison with available experimental data.

引用

页数：7

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