Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations

Chemistry - A European Journal

Volumn 23, Issue 49, 2017, Pages 11866-11871

  Tan, Chih Shan ^a   Huang, Michael H ^a  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

density functional theory; density of states; facet dependent properties; semiconductor band diagram; silicon

Indexed keywords

BAND STRUCTURE; BOND LENGTH; CHEMICAL BONDS; CONDUCTION BANDS; ENERGY GAP; SEMICONDUCTING SILICON; SILICON; VALENCE BANDS;

BAND DIAGRAMS; BOND DISTORTIONS; DENSITY OF STATE; FACET-DEPENDENT PROPERTIES; ORBITAL ELECTRONS; SEMICONDUCTOR BEHAVIOR; THIN SURFACE LAYER; TRANSISTOR DESIGNS;

DENSITY FUNCTIONAL THEORY;

EID: 85026783357     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201701886     Document Type: Article

References (31)

1. C.-H. Kuo, Y.-C. Yang, S. Gwo, M. H. Huang, J. Am. Chem. Soc. 2011, 133, 1052.
2. C.-S. Tan, S.-C. Hsu, W.-H. Ke, L.-J. Chen, M. H. Huang, Nano Lett. 2015, 15, 2155.
3. C.-S. Tan, H.-S. Chen, C.-Y. Chiu, S.-C. Wu, L.-J. Chen, M. H. Huang, Chem. Mater. 2016, 28, 1574.
4. C.-S. Tan, Y.-J. Chen, C.-F. Hsia, M. H. Huang, Chem. Asian J. 2017, 12, 293.
5. G. Liu, L.-C. Yin, J. Pan, F. Li, L. Wen, C. Zhen, H.-M. Cheng, Adv. Mater. 2015, 27, 3507.
6. C.-W. Kim, S. J. Yeob, H.-M. Cheng, Y. S. Kang, Energy Environ. Sci. 2015, 8, 3646.
7. G.-Z. Yuan, C.-F. Hsia, Z.-W. Lin, C. Chiang, Y.-W. Chiang, M. H. Huang, Chem. Eur. J. 2016, 22, 12548;
8. C.-Y. Chu, M. H. Huang, J. Mater. Chem. A 2017, 5, 15116.
9. S.-C. Wu, C.-S. Tan, M. H. Huang, Adv. Funct. Mater. 2017, 27, 1604635.
10. Y.-J. Chen, Y.-W. Chiang, M. H. Huang, ACS Appl. Mater. Interfaces 2016, 8, 19672.
11. Y. Shang, L. Guo, Adv. Sci. 2015, 2, 1500140.
12. Y. Kwon, A. Soon, H. Han, H. Lee, J. Mater. Chem. A 2015, 3, 156.
13. Y. Zhang, B. Deng, T. Zhang, D. Gao, A.-W. Xu, J. Phys. Chem. C 2010, 114, 5073.
14. Y. P. Xie, G. Liu, L. Yin, H.-M. Cheng, J. Mater. Chem. 2012, 22, 6746.
15. W.-H. Ke, C.-F. Hsia, Y.-J. Chen, M. H. Huang, Small 2016, 12, 3530.
16. S. Rej, H.-J. Wang, M.-X. Huang, S.-C. Hsu, C.-S. Tan, F.-C. Lin, J.-S. Huang, M. H. Huang, Nanoscale 2015, 7, 11135.
17. H.-J. Wang, K.-H. Yang, S.-C. Hsu, M. H. Huang, Nanoscale 2016, 8, 965.
18. K.-H. Yang, S.-C. Hsu, M. H. Huang, Chem. Mater. 2016, 28, 5140.
19. Y. Bi, S. Ouyang, N. Umezawa, J. Cao, J. Ye, J. Am. Chem. Soc. 2011, 133, 6490.
20. J. D. Holmes, K. P. Johnston, R. C. Doty, B. A. Korgel, Science 2000, 287, 1471.
21. O. Vybornyi, S. Yakunin, M. V. Kovalenko, Nanoscale 2016, 8, 6278.
22. S. Cahangirov, M. Topsakal, E. Aktürk, H. Şahin, S. Ciraci, Phys. Rev. Lett. 2009, 102, 236804.
23. N. D. Drummond, V. Zólyomi, V. I. Fal′ko, Phys. Rev. B 2012, 85, 075423.
24. D. Hisamoto, W.-C. Lee, J. Kedzierski, H. Takeuchi, K. Asano, C. Kuo, E. Anderson, T.-J. King, J. Bokor, C. Hu, IEEE Trans. Electron Devices 2000, 47, 2320.
25. S. M. Sze, Semiconductor Devices: Physics and Technology, 2nd Ed, Wiley, New York, 2001.
26. P. Deák, B. Aradi, T. Frauenheim, E. Janzén, A. Gali, Phys. Rev. B 2010, 81, 153203.
27. A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, G. E. Scuseria, J. Chem. Phys. 2006, 125, 224106.
28. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
29. D. M. Ceperley, B. J. Alder, Phys. Rev. Lett. 1980, 45, 566.
30. J. P. Perdew, A. Zunger, Phys. Rev. B 1981, 23, 5048.
31. A. Seidl, A. Görling, P. Vogl, J. A. Majewski, M. Levy, Phys. Rev. B 1996, 53, 3764.