薄膜厚度对Ag纳米薄膜结构特性及光学性能的影响

人工晶体学报, 2014, 43(1): 99-104.

薄膜厚度对Ag纳米薄膜结构特性及光学性能的影响

王丽平 ^1, , 韩培德 ^2, , 张竹霞 ^3, , 许并社 ^4,

1.太原理工大学物理与光电工程学院,太原030024

2.太原理工大学材料科学与工程学院,太原030024

3.太原理工大学新材料界面科学与工程教育部重点实验室,太原030024

4.太原理工大学新材料界面科学与工程教育部重点实验室,太原030024

基金项目: 太原理工大学青年基金(2012L037) 国家自然科学基金(51002102)

关键词： Ag薄膜 , 电子结构 , 光学性能 , 厚度依赖 , 密度泛函理论

Effects of Film Thickness on the Structural Characteristics and Optical Properties of Ag Nanostructure Thin Films

WANG Li-ping ^1, , HAN Pei-de ^2, , ZHANG Zhu-xia ^3, , XU Bing-she ^4,

1.太原理工大学物理与光电工程学院,太原030024

2.太原理工大学材料科学与工程学院,太原030024

3.太原理工大学新材料界面科学与工程教育部重点实验室,太原030024

4.太原理工大学新材料界面科学与工程教育部重点实验室,太原030024

Keywords： Ag thin film , electronic structure , optical property , thickness dependency , DFT

采用密度泛函理论,研究了Ag(111)纳米薄膜的结构稳定性、电子特性及光学性能.结果表明,Ag (111)纳米薄膜原子层厚度增加到13层,即膜厚约为2.8nm时,纳米薄膜表面能趋于稳定,为薄膜能够稳定存在的临界厚度.薄膜表面处原子间为弱离子键作用,层间距变化及表面效应主要集中在表面附近几层.在可见光及红外波段,Ag(111)纳米薄膜的折射率明显高于块体材料而消光系数略高于块体材料;随着薄膜厚度的增加,在该波段,折射率减小,消光系数增加,吸收变大.

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