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Open AccessArticle

Strain Engineered Band Gaps and Electronic Properties in PbPdO2 and PbPd0.75Co0.25O2 Slabs

by 1,2, 1,2, 3, 1,2,* and 1,2,*
1
Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, China
2
Fujian Provincial Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices, Xiamen 361005, China
3
Concord University College, Fujian Normal University, Fuzhou 350117, China
*
Authors to whom correspondence should be addressed.
Materials 2018, 11(10), 2002; https://doi.org/10.3390/ma11102002
Received: 17 August 2018 / Revised: 11 October 2018 / Accepted: 11 October 2018 / Published: 16 October 2018
Electronic structure and corresponding electrical properties of PbPdO2 and PbPd0.75Co0.25O2 ultrathin slabs with (002) preferred orientation were systematically investigated using first-principles calculations. The calculated results revealed the strain induced evidently the changes of band structure and carrier concentration in both slabs. It was also found that PbPdO2 and PbPd0.75Co0.25O2 ultrathin slabs exhibited evident differences in the external strain dependence of the band gap and charge carrier concentration, which was strongly dependent on bond angle and bond length induced by in-plane anisotropy strain. Interestingly, the carrier concentration of the PbPd0.75Co0.25O2 slab could increase up to 5–6 orders of magnitude with the help of external strain, which could explain the potential mechanism behind the observed colossal strain-induced electrical behaviors. This work demonstrated that the influence of the doping effect in the case of PbPdO2 could be a potentially fruitful approach for the development of promising piezoresistive materials. View Full-Text
Keywords: PbPdO2; strain; band gap; piezoresistance; anisotropic; first-principles calculations PbPdO2; strain; band gap; piezoresistance; anisotropic; first-principles calculations
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MDPI and ACS Style

Yang, Y.; Zhong, K.; Xu, G.; Zhang, J.-M.; Huang, Z. Strain Engineered Band Gaps and Electronic Properties in PbPdO2 and PbPd0.75Co0.25O2 Slabs. Materials 2018, 11, 2002. https://doi.org/10.3390/ma11102002

AMA Style

Yang Y, Zhong K, Xu G, Zhang J-M, Huang Z. Strain Engineered Band Gaps and Electronic Properties in PbPdO2 and PbPd0.75Co0.25O2 Slabs. Materials. 2018; 11(10):2002. https://doi.org/10.3390/ma11102002

Chicago/Turabian Style

Yang, Yanmin; Zhong, Kehua; Xu, Guigui; Zhang, Jian-Min; Huang, Zhigao. 2018. "Strain Engineered Band Gaps and Electronic Properties in PbPdO2 and PbPd0.75Co0.25O2 Slabs" Materials 11, no. 10: 2002. https://doi.org/10.3390/ma11102002

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