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Band gap tuning in GaN through equibiaxial in-plane strains S. K. Yadav,2
 

Summary: Band gap tuning in GaN through equibiaxial in-plane strains
L. Dong,1
S. K. Yadav,2
R. Ramprasad,1,2
and S. P. Alpay1,2,a
1
Department of Physics, University of Connecticut, Storrs, Connecticut 06269, USA
2
Materials Science and Engineering Program and Institute of Materials Science, University of Connecticut,
Storrs, Connecticut 06269, USA
Received 19 March 2010; accepted 27 April 2010; published online 19 May 2010
Structural transformations and the relative variation in the band gap energy Eg of 0001 gallium
nitride GaN films as a function of equibiaxial in-plane strains are studied by density functional
theory. For relatively small compressive misfits 6%0% , the band gap is estimated to be around
its strain-free value, while for small tensile strains 0%6% , it decreases by approximately 45%. In
addition, at large tensile strains 14.5% , our calculations indicate that GaN may undergo a
structural phase transition from wurtzite to a graphitelike semimetallic phase. 2010 American
Institute of Physics. doi:10.1063/1.3431290
Gallium nitride GaN is a wide band gap Eg
=3.4 eV semiconductor that usually crystallizes in the

  

Source: Alpay, S. Pamir - Department of Materials Science and Engineering, University of Connecticut

 

Collections: Materials Science