Tailoring the electronic structure and optical properties of cadmium-doped zinc oxides nanosheet

Figures & data

Figure 1. Structures of ZnO nanosheet and Cd-doped ZnO nanosheet used in computational works.

Figure 2. Band structures of ZnO nanosheet and Cd-doped ZnO nanosheet.

Table 1. Calculated band gap, static value of the birefringence and effective masses as calculated for ZnO NS and Cd-doped ZnO NS systems

	ZnO	Cd/ZnO
Eg(eV)	1.695*, 3.29–3.32^a	1.4990*
δɛ	−0.1086*	−0.1159*
Δn(0)	−0.1345*	−0.1446*
$m_e^{\ast }/m_e$	0.0107*	0.0336*
$m_{hh}^{\ast }/m_e$	0.0932*	0.0941*
$m_{lh}^{\ast }/m_e$	0.0483*	0.0329*

^* Present work.

^a Experimental work (Zhang et al., 2012).

Figure 3. (a) Total DOS of ZnO nanosheet and Cd-doped ZnO nanosheet. (b) Partial DOS for ZnO nanosheet. (c) Partial DOS for Cd-doped ZnO nanosheet.

Figure 4. Charge densities of (a) pure and (b) Cd-doped ZnO.

Figure 5. Comparison of dielectric responses : (a) dielectric constant, ε₁, of ZnO nanosheet and Cd-doped ZnO nanosheet, (b) dielectric constant, ε₂, of ZnO nanosheet and Cd-doped ZnO nanosheet, (c) dielectric constant, ε₂ vs. wavelength to show the peaks shift toward the higher energies.

Zhang, J., Zhao, S.-Q., Zhang, K., Zhou, J.-Q., & Cai, Y.-F. (2012). A study of photoluminescence properties performance improvement of Cd doped ZnO quantum dots prepared by the sol gel method. Nanoscale Research Letters, 7(1), 405.10.1186/1556-276X-7-405

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