Effective mass-driven structural transition in a Mn-doped ZnS nanoplatelet

Journal of Physical Chemistry Letters

Volumn 4, Issue 6, 2013, Pages 1023-1027

  Gerard, Celine ^a   Das, Ruma ^b   Mahadevan, Priya ^b   Sarma, D D ^a,c  

^a INDIAN INSTITUTE OF SCIENCE   (India)

^b S N BOSE NATIONAL CENTRE FOR BASIC SCIENCES   (India)

^c NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

binding energy; nanoplatelet; structural transition

Indexed keywords

COVALENCIES; NANO-PLATELETS; NANOCRYSTAL SIZES; NANOPLATELET; QUANTUM CONFINEMENT EFFECTS; SIZE DEPENDENT; STRUCTURAL TRANSITIONS; VALENCE-BAND MAXIMUMS;

BINDING ENERGY; MANGANESE; ZINC;

ZINC SULFIDE;

EID: 84875505862     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4002746     Document Type: Article

References (23)

1. Ito, T. Simple Criterion for Wurtzite-Zinc-Blende Polytypism in Semiconductors Jpn. J. Appl. Phys. 1998, 37, L1217-L1220
2. Yeh, C. -Y.; Lu, Z. W.; Froyen, S.; Zunger, A. Predictions and Systematizations of the Zinc-Blende-Wurtzite Structural Energies in Binary Octet Compounds Phys. Rev. B 1992, 45, 12130-12133
3. Mujica, A.; Rubio, A.; Muñoz, A.; Needs, R. J. High-Pressure Phases of Group-IV, III-V, and II-VI Compounds Rev. Mod. Phys. 2003, 75, 863-912
4. 2 Nanoparticles J. Am. Chem. Soc. 2010, 132, 15976-15986
5. Nag, A.; Hazarika, A.; Shanavas, K. V.; Sharma, S. M.; Dasgupta, I.; Sarma, D. D. Crystal Structure Engineering by Fine-Tuning the Surface Energy: The Case of CdE (E = S/Se) Nanocrystals J. Phys. Chem. Lett. 2011, 2, 706-712
6. Huang, J.; Kovalenko, M. V.; Talapin, D. V. Alkyl Chains of Surface Ligands Affect Polytypism of CdSe Nanocrystals and Play an Important Role in the Synthesis of Anisotropic Nanoheterostructures J. Am. Chem. Soc. 2010, 132, 15866-15868
7. Polking, M. J.; Urban, J. J.; Milliron, D. J.; Zheng, H.; Chan, E.; Caldwell, M. A.; Raoux, S.; Kisielowski, C. F.; Ager, J. W., III; Ramesh, R.; Alivisatos, A. P. Size-Dependent Polar Ordering in Colloidal GeTe Nanocrystals Nano Lett. 2011, 11, 1147-1152
8. Karan, N. S.; Sarkar, S.; Sarma, D. D.; Kundu, P.; Ravishankar, N.; Pradhan, N. Thermally Controlled Cyclic Insertion/Ejection of Dopant Ions and Reversible Zinc Blende/Wurtzite Phase Changes in ZnS Nanostructures J. Am. Chem. Soc. 2011, 133, 1666-1669
9. Takahashi, K.; Morizumi, T. Growth of InAs Whiskers in Wurtzite Structure Jpn. J. Appl. Phys. 1998, 5, L1217-L1220
10. Dalpian, G. M.; Wei, S.-H. Hole-Mediated Stabilization of Cubic GaN Phys. Rev. Lett. 2004, 93, 216401
11. Choi, E.-A.; Kang, J.; Chang, K. J. Energetics of Cubic and Hexagonal Phases in Mn-Doped GaN: First-Principles Pseudopotential Calculations Phys. Rev. B 2006, 74, 245218
12. Bergerhoff, G.; Brown, I. D. Crystallographic Databases; Allen, F. H.; Bergerhoff, G.; Sievers, R., Eds.; International Union of Crystallography: Chester, U.K.; 1987.
13. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
14. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
15. Perdew, J. P.; Zunger, A. Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems Phys. Rev. B 1981, 23, 5048-5076
16. Cherian, R.; Mahadevan, P. Bulk and Nanoscale GaN: Role of Ga d States Phys. Rev. B 2007, 76, 075205
17. Caldas, M. J.; Fazzio, A.; Zunger, A. A Universal Trend in the Binding Energies of Deep Impurities in Semiconductors Appl. Phys. Lett. 1984, 45, 671-673
18. Huang, X.; Makmal, A.; Chelikowsky, J. R.; Kronik, L. Size-Dependent Spintronic Properties of Dilute Magnetic Semiconductor Nanocrystals Phys. Rev. Lett. 2005, 94, 236801
19. Norberg, N. S.; Dalpian, G. M.; Chelikowsky, J. R.; Gamelin, D. R. Energetic Pinning of Magnetic Impurity Levels in Quantum-Confined Semiconductors Nano Lett. 2006, 6, 2887-2892
20. Sapra, S.; Sarma, D. D. Evolution of the Electronic Structure with Size in II-VI Semiconductor Nanocrystals Phys. Rev. B 2004, 69, 125304
21. Sapra, S.; Shanthi, N.; Sarma, D. D. Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors Phys. Rev. B 2002, 66, 205202
22. Viswanatha, R.; Sapra, S.; Saha-Dasgupta, T.; Sarma, D. D. Electronic Structure of and Quantum Size Effect in III-V and II-VI Semiconducting Nanocrystals Using a Realistic Tight Binding Approach Phys. Rev. B 2005, 72, 045333
23. Viswanatha, R.; Sarma, D. D. Effect of Structural Modification on the Quantum-Size Effect in II-VI Semiconducting Nanocrystals Chem. Asian J. 2009, 4, 904-909