Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters

Journal of Applied Physics

Volumn 108, Issue 9, 2010, Pages

  Jiang, Jun ^a   Sun, Lian ^b   Gao, Bin ^a,c   Wu, Ziyu ^d   Lu, Wei ^e   Yang, Jinlong ^b   Luo, Yi ^a,b,d  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^c UNIVERSITY OF TROMSØ   (Norway)

^d UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^e SHANGHAI INSTITUTE OF TECHNICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER SIZES; CORE-SHELL; DIFFERENT SIZES; ELECTRON EFFECTIVE MASS; HYBRID DENSITY FUNCTIONAL THEORY; INNER CORE; NANO DIAMOND; OUTER SHELLS; QUANTUM CONFINEMENT EFFECTS; QUANTUM CONFINEMENT MODELS; STRUCTURAL DEPENDENCE; STRUCTURAL FACTOR; STRUCTURE DEPENDENT; SURFACE STATE;

ATOMS; DENSITY FUNCTIONAL THEORY; DIAMONDS; ELECTRONIC PROPERTIES; ELECTRONIC STATES; ELECTRONIC STRUCTURE; HYDROGEN;

QUANTUM CONFINEMENT;

EID: 78649239147     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3503365     Document Type: Article

References (23)

1. G. Medeiros-Ribeiro, A. M. Bratkovski, T. I. Kamins, D. A. A. Ohlberg, and R. S. Williams, Science SCIEAS 0036-8075 279, 353 (1998). 10.1126/science.279.5349.353 (Pubitemid 28063365)
2. Z. Y. Zhou, R. A. Friesner, and L. Brus, J. Am. Chem. Soc. JACSAT 0002-7863 125, 15599 (2003). 10.1021/ja036443v (Pubitemid 37532203)
3. Y. K. Chang, H. H. Hsieh, W. F. Pong, M. -H. Tsai, F. Z. Chien, P. K. Tseng, L. C. Chen, T. Y. Wang, K. H. Chen, D. M. Bhusari, J. R. Yang, and S. T. Lin, Phys. Rev. Lett. PRLTAO 0031-9007 82, 5377 (1999). 10.1103/PhysRevLett.82. 5377
4. J. -Y. Raty, G. Galli, and T. Van Buuren, Phys. Rev. Lett. PRLTAO 0031-9007 90, 037401 (2003) 10.1103/PhysRevLett.90.037401; J. -Y. Raty and G. Galli, Nature Mater. NMAACR 1476-1122 2, 792 (2003). 10.1038/nmat1018
5. N. D. Drummond, A. J. Williamson, R. J. Needs, and G. Galli, Phys. Rev. Lett. PRLTAO 0031-9007 95, 096801 (2005). 10.1103/PhysRevLett.95.096801 (Pubitemid 41505822)
6. T. M. Willey, C. Bostedt, T. Van Buuren, J. E. Dahl, S. G. Liu, R. M. K. Carlson, L. J. Terminello, and T. Moller, Phys. Rev. Lett. PRLTAO 0031-9007 95, 113401 (2005) 10.1103/PhysRevLett.95.113401; T. M. Willey, C. Bostedt, T. van Buuren, J. E. Dahl, S. G. Liu, R. M. K. Carlson, R. W. Meulenberg, E. J. Nelson, and L. J. Terminello, Phys. Rev. B PLRBAQ 0556-2805 74, 205432 (2006). 10.1103/PhysRevB.74.205432
7. G. C. McIntosh, M. Yoon, S. Berber, and D. Tomanek, Phys. Rev. B PLRBAQ 0556-2805 70, 045401 (2004). 10.1103/PhysRevB.70.045401
8. D. A. Areshkin, O. A. Shenderova, S. P. Adiga, and D. W. Brenner, Diamond Relat. Mater. DRMTE3 0925-9635 13, 1826 (2004). 10.1016/j.diamond.2004.04.012
9. C. Wang, B. Zheng, W. T. Zheng, and Q. Jiang, Diamond Relat. Mater. DRMTE3 0925-9635 17, 204 (2008). 10.1016/j.diamond.2007.12.024
10. M. H. Saani, M. Kargarian, and A. Ranjbar, Phys. Rev. B PLRBAQ 0556-2805 76, 035417 (2007). 10.1103/PhysRevB.76.035417
11. L. Yang, R. N. Musin, X. Q. Wang, and M. Y. Chou, Phys. Rev. B PLRBAQ 0556-2805 77, 195325 (2008). 10.1103/PhysRevB.77.195325
12. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, GAUSSIAN 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA, 2003.
13. J. Jiang, K. Liu, W. Lu, and Y. Luo, J. Chem. Phys. JCPSA6 0021-9606 124, 214711 (2006) 10.1063/1.2207137; B. Gao, J. Jiang, K. Liu, Z. Y. Wu, W. Lu, and Y. Luo, J. Comput. Chem. JCCHDD 0192-8651 29, 434 (2008). 10.1002/jcc.20799
14. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 14, 2745 (2002) and references therein. 10.1088/0953-8984/14/11/302 (Pubitemid 34288362)
15. B. Delley, J. Chem. Phys. JCPSA6 0021-9606 92, 508 (1990) 10.1063/1.458452; B. Delley, J. Chem. Phys. JCPSA6 0021-9606 113, 7756 (2000), DMOL3 is available from Accelrys. 10.1063/1.1316015
16. L. Landt, K. Klünder, J. E. Dahl, R. M. K. Carlson, T. Möller, and C. Bostedt, Phys. Rev. Lett. PRLTAO 0031-9007 103, 047402 (2009). 10.1103/PhysRevLett.103.047402
17. M. Vörös and A. Gali, Phys. Rev. B PLRBAQ 0556-2805 80, 161411 (2009). 10.1103/PhysRevB.80.161411
18. P. E. Batson and J. R. Heath, Phys. Rev. Lett. PRLTAO 0031-9007 71, 911 (1993). 10.1103/PhysRevLett.71.911
19. L. E. Brus, J. Chem. Phys. JCPSA6 0021-9606 79, 5566 (1983). 10.1063/1.445676
20. L. E. Brus, J. Chem. Phys. JCPSA6 0021-9606 80, 4403 (1984). 10.1063/1.447218
21. R. E. Hummel, Electronic Properties of Materials, 2nd ed. (Springer-Verlag, Berlin, 1994).
22. S. Koizumi, The Physics of Group IV Semiconductors Workshop 2003, University of Exeter, UK, 07-10 April, 2003.
23. J. C. Hensel, H. Hasegawa, and M. Nakayama, Phys. Rev. PHRVAO 0031-899X 138, A225 (1965). 10.1103/PhysRev.138.A225