APL Nameplate
  • Volume/Page
  • Keyword
  • DOI
  • Citation
  • Advanced
   
 
 
 

Flickr Twitter UniPHY Group iResearch App Facebook

Applied Physics Letters / Volume 96 / Issue 22 / STRUCTURAL, MECHANICAL, THERMODYNAMIC, AND OPTICAL PROPERTIES OF CONDENSED MATTER

Appl. Phys. Lett. 96, 221901 (2010); http://dx.doi.org/10.1063/1.3430005 (3 pages)

Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction

Wan-Jian Yin1, Shiyou Chen1, Ji-Hui Yang1, Xin-Gao Gong1, Yanfa Yan2, and Su-Huai Wei2

1Department of Physics and Key Laboratory for Computational Physical Sciences (MOE), Fudan University, Shanghai 200433, People's Republic of China
2National Renewable Energy Laboratory, Golden, Colorado 80401, USA

View MapView Map

(Received 6 March 2010; accepted 26 April 2010; published online 2 June 2010)

Due to its large band gap (3.2 eV), TiO2 cannot absorb sun light effectively. To reduce its band gap, various approaches have been attempted; most of them are using doping to modify its band structure. Using first-principles band structure calculations, we show that unlike the rutile phases, the band gap of TiO2 in the anatase phase can be effectively reduced by applying stress along a soft direction. We propose that this approach of tuning the band gap by applying stress along soft direction of a layered semiconductor is general and should be applicable to other anisotropic materials.

© 2010 American Institute of Physics

RELATED DATABASES

To view database links for this article, you need to log in.

KEYWORDS and PACS

Keywords

band structure, density functional theory, titanium compounds

PACS

  • 71.20.-b

    Electron density of states and band structure of crystalline solids

  • 73.20.At

    Surface states, band structure, electron density of states

  • 71.15.Mb

    Density functional theory, local density approximation, gradient and other corrections

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3430005

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    H. Weng, X. Yang, J. Dong, H. Mizuseki, M. Kawasaki, and Y. Kawazoe, Phys. Rev. B 69, 125219 (2004).

    Y. Gai, J. Li, S. S. Li, J. -B. Xia, and S. -H. Wei, Phys. Rev. Lett. 102, 036402 (2009).

    R. Long and N. J. English, Appl. Phys. Lett. 94, 132102 (2009)APPLAB000094000013132102000001.

    V. Swamy, A. Y. Kuznetsove, L. S. Dubrovinsky, A. Kurnosov, and V. B. Prakapenka, Phys. Rev. Lett. 103, 075505 (2009).

    S. H. Wei and A. Zunger, Phys. Rev. B 60, 5404 (1999).

    P. E. Blöchl, Phys. Rev. B 50, 17953 (1994), G. Kresse and D. Joubert, ibid. 59, 1758 (1999).

    J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).

    T. Arlt, M. Bermejo, M. A. Blamco, L. Gerward, J. Z. Jiang, J. Staun Olsen, and J. M. Recio, Phys. Rev. B 61, 14414 (2000).

    J. -M. Wagner and F. Bechstedt, Phys. Rev. B 66, 115202 (2002).

    C. G. Van de Walle, Phys. Rev. B 39, 1871 (1989).

    L. Thulin and J. Guerra, Phys. Rev. B 77, 195112 (2008).


For access to citing articles, you need to log in.


Figures (3) Tables (2)

Access to article objects (figures, tables, multimedia) requires a subscription; log in to view available files.
(Access to supplementary files, where available, is free for this journal.)

Access to article objects (figures, tables, multimedia) requires a subscription; log in to view available files.
(Access to supplementary files, where available, is free for this journal.)



Close

Google Calendar

ADVERTISEMENT

Your Recent History Recent History Help

Recently Viewed

  1. Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction
  2. Chirped pulse shadowgraphy for single shot time resolved plasma expansion measurements
  3. Extreme water state produced by underwater wire-array electrical explosion
  4. Production of highly ionized species in high-current pulsed cathodic arcs
  5. Upper limit for the modulation bandwidth of a quantum dot laser
Go to AIP Home
Copyright © American Institute of Physics
close