First principles molecular dynamics study of CdS nanostructure temperature-dependent phase stability

Applied Physics Letters

Volumn 92, Issue 26, 2008, Pages

  Wen, Bin ^a   Melnik, Roderick V N ^a  

^a WILFRID LAURIER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM COMPOUNDS; CRYSTALLOGRAPHY; DATA STORAGE EQUIPMENT; DYNAMICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; PRESSURE; QUANTUM CHEMISTRY; SYSTEM STABILITY; TEMPERATURE;

AMERICAN INSTITUTE OF PHYSICS (AIP); FIRST-PRINCIPLES MOLECULAR DYNAMICS; GRAPHITIC PHASES; HIGH PRESSURE (HP); NANO STRUCTURING; RELATIVE STABILITIES; ROCKSALT (RS); TEMPERATURE DEPENDENT; TEMPERATURE RANGES; TOTAL ENERGIES; WURTZITE (WZ);

PHASE STABILITY;

EID: 46649095840     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2952835     Document Type: Article

References (23)

1. W. W. Yu, E. Chang, R. Drezek, and V. L. Colvin, Biochem. Biophys. Res. Commun. BBRCA9 0006-291X 348, 781 (2006).
2. H. J. Lee, D. Y. Kim, J. S. Yoo, J. Bang, S. Kim, and S. M. Park, Bull. Korean Chem. Soc. BKCSDE 0253-2964 28, 953 (2007).
3. R. Melnik and R. Mahapatra, Comput. Struct. CMSTCJ 0045-7949 85, 698 (2007).
4. R. Melnik and K. N. Zotsenko, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 10.1088/0965-0393/12/3/008 12, 465 (2004).
5. A. Priyam, A. Chatterjee, S. C. Bhattacharya, and A. Saha, J. Cryst. Growth JCRGAE 0022-0248 340, 416 (2007).
6. K. Barnham, J. L. Marques, J. Hassard, and P. O'Brien, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.125981 76, 1197 (2000).
7. H. Cao, G. Wang, S. Zhang, X. Zhang, and D. Rabinovich, Inorg. Chem. INOCAJ 0020-1669 45, 5103 (2006).
8. C. J. Barrelet, A. B. Greytak, and C. M. Lieber, Nano Lett. NALEFD 1530-6984 10.1021/nl048739k 4, 1981 (2004).
9. X. Michalet, F. Pinaud, T. D. Lacoste, Ma. Dahan, M. P. Bruchez, A. P. Alivisatos, and S. Weiss, Single Mol. SGMCF7 1438-5163 10.1002/1438-5171(200112) 2:4<261::AID-SIMO261>3.0.CO;2-P 2, 261 (2001).
10. N. Gaponik, I. L. Radtchenko, G. B. Sukhorukov, and A. L. Rogach, Single Mol. SGMCF7 1438-5163 20, 1449 (2004).
11. A. S. Barnard and H. Xu, J. Phys. Chem. C JPCCCK 1932-7447 111, 118112 (2007).
12. M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002).
13. CPMD, Car-Parrinello Molecular Dynamics, V3.11.1, MPI für Festkörperforschung, Stuttgart.
14. D. R. Hamann, M. Schluter, and C. Chiang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.43.1494 43, 1494 (1979).
15. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
16. G. B. Bachelet, D. R. Hamann, and M. Schlter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.4199 26, 4199 (1982).
17. X. Gonze, R. Stumpf, and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.8503 44, 8503 (1991).
18. P. Schrer, P. Krger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.6971 47, 6971 (1993).
19. J. Yang, J. Zeng, S. Yu, L. Yang, G. Zhou, and Y. Qian, Chem. Mater. CMATEX 0897-4756 10.1021/cm0000144 12, 3259 (2000).
20. C. Li, W. Guo, Y. Kong, and H. Gao, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.035322 76, 035322 (2007).
21. C. Li, W. Guo, Y. Kong, and H. Gao, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2743934 90, 223102 (2007).
22. W. Fan, H. Xu, A. L. Rosa, Th. Frauenheim, and R. Q. Zhang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.073302 76, 073302 (2007).
23. R. C. Cammarata and K. Sieradazki, Annu. Rev. Mater. Sci. ARMSCX 0084-6600 10.1146/annurev.matsci.24.1.215 24, 215 (1994).