Paper Title:
Ab Initio Study on Ta:SnO2
  Abstract

The structural, electronic and optical properties of a tantalum doped rutile-phased stannic oxide were investigated by ab initio calculations. The Ta dopant doesn’t change the lattice symmetry of rutile phase, but brings about a smaller volume expansion comparing with Sb:SnO2, a increase in thermal stability, a semiconductor-metal transition in electronic structure and a red shift in the optical spectrum. The intra-band excitation caused by Ta dopant leads to to a remarkable enhancement of optical peaks in the infrared region, while the stability of optical spectrum in the visible light region supports the preservation of high visible transparency of Ta:SnO2 with dopant concentration as high as 4.17 at.%.

  Info
Periodical
Advanced Materials Research (Volumes 160-162)
Edited by
Guojun Zhang and Jessica Xu
Pages
574-578
DOI
10.4028/www.scientific.net/AMR.160-162.574
Citation
G. Q. Qin, G. L. Zhang, S. M. Liu, H. Fu, J. Wen, "Ab Initio Study on Ta:SnO2", Advanced Materials Research, Vols. 160-162, pp. 574-578, 2011
Online since
November 2010
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$32.00
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