Substantial bandgap tuning and strain controlled semiconductor to gapless/band-inverted semi-metal transition in rutile lead/stannic dioxide
Ma, Fengxian, Jiao, Yalong, Gao, Guoping, Gu, YuanTong, Bilic, Ante, Sanvito, Stefano, & Du, Aijun (2016) Substantial bandgap tuning and strain controlled semiconductor to gapless/band-inverted semi-metal transition in rutile lead/stannic dioxide. ACS Applied Materials & Interfaces, 8(39), pp. 25667-25673.
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By first-principle calculations, we have systematically studied the effect of strain/pressure on the electronic structure of rutile lead/stannic dioxide (PbO2/SnO2). We find that pressure/strain has a significant impact on the electronic structure of PbO2/SnO2. Not only can the band gap be substantially tuned by pressure/strain, but also a transition between a semiconductor and a gapless/band-inverted semimetal can be manipulated. Furthermore, the semimetallic state is robust under strain, indicating a bright perspective for electronics applications. In addition, a practical approach to realizing strain in SnO2 is then proposed by substituting tin (Sn) with lead (Pb), which also can trigger the transition from a large-band-gap to a moderate-gap semiconductor with enhanced electron mobility. This work is expected to provide guidance for full utilization of the flexible electronic properties in PbO2 and SnO2.
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|Item Type:||Journal Article|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 2016 American Chemical Society|
|Deposited On:||27 Sep 2016 03:38|
|Last Modified:||02 Nov 2016 04:26|
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