Chin. Phys. Lett.  2012, Vol. 29 Issue (3): 037101    DOI: 10.1088/0256-307X/29/3/037101
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
First-Principles Study on Electronic Structures and Optical Properties of Doped Ag Crystal
CAO Can1, CHEN Ling-Na1,2, JIA Shu-Ting1, ZHANG Dan1, XU Hui1**
1School of Physics Science and Technology, Central South University, Changsha 410083
2School of Computer Science and Technology, University of South China, Hengyang 421001
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Abstract

By using the first-principles calculation based on density functional theory, we investigate the electronic structures and optical properties of Cl-doped Ag crystal. The results show that the electronic structure of Cl-doped Ag crystal depends on the doped concentration and the site of impurity defect. Interestingly, the calculated adsorption spectra of Cl-doped Ag crystal show isotropy or anisotropy coincide with the symmetry of Ag crystal. These features are discussed to provide guidance to experimental efforts for Ag-based nanoeletronic devices.
Keywords: 71.15.Mb      71.20.Gj      75.40.Kc     
Received: 07 September 2011      Published: 11 March 2012
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  71.20.Gj (Other metals and alloys)  
  75.40.Kc  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/29/3/037101       OR      https://cpl.iphy.ac.cn/Y2012/V29/I3/037101
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[1] Yoshida K et al 2010 Phys. Rev. B 81 115406

[2] Colletta C T et al 2010 Phys. Rev. Lett. 104 016802

[3] Ma Y W et al 2010 Chin. Phys. Lett. 27 064204

[4] Gierz I et al 2010 Phys. Rev. B 81 245430

[5] Chiu Y P et al 2008 Phys. Rev. B 78 115402

[6] Kim I G et al 2004 J. Magn. Magn. Mater. 306 272

[7] Auwärter W et al 2010 Phys. Rev. B 81 245403

[8] Allen J P et al 2010 Phys. Rev. B 81 161103

[9] Alekseeva A A et al 2010 Surf. Sci. 604 1400-1405

[10] Kobayashi K et al 2010 Phys. Rev. B 81 155418

[11] Tian Z J et al 1985 Chin. Phys. Lett. 2 249

[12] Atodiresei N et al 2008 Phys. Rev. B 78 045411

[13] Zupanič E et al 2010 Phys. Rev. Lett. 104 196102

[14] Sprodowski C et al 2010 Phys. Rev. B 82 165444

[15] Zhou B et al 2010 Chin. Phys. Lett. 27 037303

[16] Kan C X et al 2008 J. Phys. D: Appl. Phys. 41 155304

[17] Camarago P H C et al 2009 Nanotechnology 20 434020

[18] Stachiotti M G 2009 Phys. Rev. B 79 115405

[19] Bismaths L T et al 2008 Phys. Rev. B 77 220405

[20] CHANG C C et al 1990 Surf. Sci. 230 27

[21] Lamble G M et al 1986 Phys. Rev. B 34 2975

[22] Gavrilenko A V et al 2010 Phys. Rev. B 82 155426

[23] Phillips A E et al 2010 Phys. Rev. B 82 155118

[24] Abad J et al 2010 Phys. Rev. B 82 165420

[25] Kim J et al 2010 Phys. Rev. B 82 134205

[26] Claeyssens F et al 2010 Phys. Rev. B 82 094119

[27] Yuasa M et al 2010 Phys. Rev. B 82 094108

[28] O'Donnell K M et al 2010 Phys. Rev. B 82 115303

[29] Gillen R et al 2010 Phys. Rev. B 82 125406

[30] Clark S J et al 2010 Phys. Rev. B 82 085208

[31] Friedrich A et al 2010 Phys. Rev. Lett. 105 085504

[32] Grönbeck H et al 2010 Phys. Rev. B 82 085416

[33] Kittel C 1975 Introduction to Solid State Physics (New York: Wiley)
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