The chemisorption of Mg on the Si (100)-(2 × 1) surface

Zhang Fang; Li Wei; Wei Shuyi

doi:10.1088/1674-4926/33/11/112002

J. Semicond. > 2012, Volume 33 > Issue 11 > 112002

SEMICONDUCTOR PHYSICS

The chemisorption of Mg on the Si (100)-(2 × 1) surface

Zhang Fang, Li Wei and Wei Shuyi

+ Author Affiliations

DOI: 10.1088/1674-4926/33/11/112002

Abstract: The adsorption of a half monolayer of Mg atoms on the Si (100)-(2 × 1) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of the adsorption systems of Mg atoms on the different sites are calculated. It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si (100)-(2 × 1) surface and a metastable shallow site also exists above the surface. This is in agreement with the experimental results. The charge transfer and the layer projected density of states are also studied.

Key words: silicon, chemisorption, supercell, magnesium, low index single crystal surface

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]

1	Disordered wall arrays by photo-assisted electrochemical etching in n-type silicon Yaohu Lei, Zhigang Zhao, Jinchuan Guo, Ji Li, Hanben Niu, et al. Journal of Semiconductors, 2016, 37(10): 106001. doi: 10.1088/1674-4926/37/10/106001
2	Progress in complementary metal-oxide-semiconductor silicon photonics and optoelectronic integrated circuits Hongda Chen, Zan Zhang, Beiju Huang, Luhong Mao, Zanyun Zhang, et al. Journal of Semiconductors, 2015, 36(12): 121001. doi: 10.1088/1674-4926/36/12/121001
3	The micro morphology correction function of a silicon wafer CMP surface Haokun Yang, Yuling Liu, Ming Sun, Yingde Li Journal of Semiconductors, 2014, 35(5): 053002. doi: 10.1088/1674-4926/35/5/053002
4	Dynamic threshold voltage operation in Si and SiGe source junctionless tunnel field effect transistor Shibir Basak, Pranav Kumar Asthana, Yogesh Goswami, Bahniman Ghosh Journal of Semiconductors, 2014, 35(11): 114001. doi: 10.1088/1674-4926/35/11/114001
5	Analytical modeling and simulation of germanium single gate silicon on insulator TFET T. S. Arun Samuel, N. B. Balamurugan Journal of Semiconductors, 2014, 35(3): 034002. doi: 10.1088/1674-4926/35/3/034002
6	Effect of magnesium doping on the light-induced hydrophilicity of ZnO thin films Huang Kai, Lü Jianguo, Zhang Li, Tang Zhen, Yu Jiangying, et al. Journal of Semiconductors, 2012, 33(5): 053003. doi: 10.1088/1674-4926/33/5/053003
7	Stacking fault energy in some single crystals Aditya M.Vora Journal of Semiconductors, 2012, 33(6): 062001. doi: 10.1088/1674-4926/33/6/062001
8	Effects of vacancy structural defects on the thermal conductivity of silicon thin films Zhang Xingli, Sun Zhaowei Journal of Semiconductors, 2011, 32(5): 053002. doi: 10.1088/1674-4926/32/5/053002
9	Optical and electrical properties of porous silicon layer formed on the textured surface by electrochemical etching Ou Weiying, Zhao Lei, Diao Hongwei, Zhang Jun, Wang Wenjing, et al. Journal of Semiconductors, 2011, 32(5): 056002. doi: 10.1088/1674-4926/32/5/056002
10	Optimization of the acid leaching process by using an ultrasonic field for metallurgical grade silicon Zhang Jian, Li Tingju, Ma Xiaodong, Luo Dawei, Liu Ning, et al. Journal of Semiconductors, 2009, 30(5): 053002. doi: 10.1088/1674-4926/30/5/053002
11	Effect of chemical polish etching and post annealing on the performance of silicon heterojunction solar cells Jiang Zhenyu, Dou Yuhua, Zhang Yu, Zhou Yuqin, Liu Fengzhen, et al. Journal of Semiconductors, 2009, 30(8): 084010. doi: 10.1088/1674-4926/30/8/084010
12	An Improved Angle Polishing Method for Measuring Subsurface Damage in Silicon Wafers Huo Fengwei, Kang Renke, Guo Dongming, Zhao Fuling, Jin Zhuji, et al. Chinese Journal of Semiconductors , 2006, 27(3): 506-510.
13	Fabrication and Evaluation of Bragg Gratings on Optimally Designed Silicon-on-Insulator Rib Waveguides Using Electron-Beam Lithography Wu Zhigang, Zhang Weigang, Wang Zhi, Kai Guiyun, Yuan Shuzhong, et al. Chinese Journal of Semiconductors , 2006, 27(8): 1347-1350.
14	MEMS Inductor Consisting of Suspended Thick Crystalline Silicon Spiral with Copper Surface Coating Wu Wengang, Li Yi, Huang Fengyi, Han Xiang, Zhang Shaoyong, et al. Chinese Journal of Semiconductors , 2006, 27(4): 662-666.
15	An Analytical Model for the Surface Electrical Field Distribution and Optimization of Bulk-Silicon Double RESURF Devices Li Qi, Li Zhaoji, Zhang Bo Chinese Journal of Semiconductors , 2006, 27(7): 1177-1182.
16	Analysis of PTCDA/ITO Surface and Interface Using X-ray Photoelectron Spectroscopy and Atomic Force Microscopy Tang Ning, Shen Bo, Wang Maojun, Yang Zhijian, Xu Ke, et al. Chinese Journal of Semiconductors , 2006, 27(2): 235-238.
17	Analysis of PTCDA/ITO Surface and Interface Using X-ray Photoelectron Spectroscopy and Atomic Force Microscopy Ou Guping, Song Zhen, Gui Wenming, Zhang Fujia Chinese Journal of Semiconductors , 2006, 27(2): 229-234.
18	Effect of Nickel Contamination on Formation of Denuded Zone in Czochralski Silicon Wu Dongdong, Yang Deren, Xi Zhenqiang, Que Duanlin, Zhong Yao, et al. Chinese Journal of Semiconductors , 2006, 27(4): 623-626.
19	Mn-Si Films Fabricated by Low Energy Ion Beam Deposition Liu Lifeng, Chen Nuofu, Chai Chunlin, Yang Shaoyan, Liu Zhikai, et al. Chinese Journal of Semiconductors , 2005, 26(S1): 94-97.
20	A Novel Local-Dielectric-Thickening Technique for Performance Improvements of Spiral Inductors on Si Substrates Chinese Journal of Semiconductors , 2005, 26(5): 857-861.

Search

GET CITATION

shu

Export: BibTex EndNote

Article Metrics

Article views: 3508 Times PDF downloads: 1837 Times Cited by: 0 Times

History

Received: 20 August 2015 Revised: 28 June 2012 Online: Published: 01 November 2012

The adsorption of a half monolayer of Mg atoms on the Si (100)-(2 × 1) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of the adsorption systems of Mg atoms on the different sites are calculated. It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si (100)-(2 × 1) surface and a metastable shallow site also exists above the surface. This is in agreement with the experimental results. The charge transfer and the layer projected density of states are also studied.

The chemisorption of Mg on the Si (100)-(2 × 1) surface

Search

GET CITATION

Share:

Article Metrics

History

Catalog

Email This Article

The chemisorption of Mg on the Si (100)-(2 × 1) surface

DOI: 10.1088/1674-4926/33/11/112002

Abstract

References

Proportional views

Catalog

The chemisorption of Mg on the Si (100)-(2 × 1) surface

Search

GET CITATION

Share:

Article Metrics

History

Catalog

Email This Article

The chemisorption of Mg on the Si (100)-(2 × 1) surface

DOI: 10.1088/1674-4926/33/11/112002

Abstract

References

Proportional views

Catalog

Export File

Citation

Format

Content