Title : ( First-Principles Study of Electronic and Structural Properties and Examining the Effect of Pressure on Energy Gap in InN Phases )
Authors: Mohammad Reza Abolhasani , Arash Bouchani , Hadi Arabi , Fahimeh Ahmadian ,
Full TextAbstract
The electronic and structural properties of both zinc-blende and wurtzite phases of InN were nvestigated by using full potential linearized augmented plane wave method within density functional theory. For the exchange correlation potential, generalized gradient approximation (PBE-GGA) and an alternative form of GGA proposed by Engel and Vosko (EV-GGA) have been used. Results obtained for band structure of these compounds have been compared with experimental results as well as other first principle computations. Our results show a significant improvement over other theoretical work and are closer to experimental data. The lattice constants, bulk modulus and its pressure derivative are calculated for both phases. We have also investigated the structural transitions of InN and have calculated the transition pressure between zinc-blende and rocksalt phases.
Keywords
, First principal study, structural properties, Energy gap, InN phase, pressure
@article{paperid:1056123,
author = {Mohammad Reza Abolhasani and Arash Bouchani and Arabi, Hadi and Fahimeh Ahmadian},
title = {First-Principles Study of Electronic and Structural Properties and Examining the Effect of Pressure on Energy Gap in InN Phases},
journal = {Journal of Theoretical and Applied Physics},
year = {2007},
volume = {1},
number = {3},
month = {July},
issn = {1735-9325},
pages = {39--45},
numpages = {6},
keywords = {First principal study; structural properties; Energy gap; InN phase; pressure},
}
%0 Journal Article
%T First-Principles Study of Electronic and Structural Properties and Examining the Effect of Pressure on Energy Gap in InN Phases
%A Mohammad Reza Abolhasani
%A Arash Bouchani
%A Arabi, Hadi
%A Fahimeh Ahmadian
%J Journal of Theoretical and Applied Physics
%@ 1735-9325
%D 2007
