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<strong>Structural and electronic property calculations of InxGa1-xAs alloy based on all electron potentials from first-principle theory</strong>

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Title Statement <strong>Structural and electronic property calculations of InxGa1-xAs alloy based on all electron potentials from first-principle theory</strong>
 
Added Entry - Uncontrolled Name Pandey, Bramha Prasad; GLA University, Mathura
Kumar, V ; ISM, Dhanbad
 
Uncontrolled Index Term GaAs, InAs semiconductors, InxGa1-xAs alloy, DFT, EOS, Local density approximation, Projector augmented, wave, First-principle calculation
 
Summary, etc. First-principle calculation has been performed to study the structural and electronic properties of binary GaAs and InAs semiconductors and their alloy In<sub>x</sub>Ga<sub>1</sub><sub>-x</sub>As using projector augmented wave (PAW) and PAW+U techniques, based on all electron (AE) potentials. The effect of composition <em>x</em> of indium (In) on equilibrium lattice constant (ɑ<sub>0</sub>), bulk modulus (<em>B</em><sub>0</sub>) and pressure derivative of bulk modulus (<em>B</em><sub>0</sub>') have been investigated using local density approximation (LDA), PAW and PAW+U techniques. The values of bandgap (<em>E</em><sub>g</sub>) of GaAs, InAs and In<sub>x</sub>Ga<sub>1</sub><sub>-x</sub>As have been calculated from these methods. The structural and electronic parameters ɑ<sub>0</sub>, <em>B</em><sub>0</sub> and <em>E</em><sub>g</sub> have been found to be nonlinear with alloy composition <em>x</em>. The calculated values are compared with the experimental values and the values reported by different researchers. A fairly good agreement has been obtained between them.
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2016-01-11 09:49:15
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/4795
 
Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 54, ##issue.no## 01 (2016): Indian Journal of Pure & Applied Physics
 
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