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71.15.-m Methods of electronic structure calculations 2 71.15.Dx Computational methodology (Brillouin zone sampling 2 71.15.Mb Density functional theory 2 gradient and other corrections 2 iterative diagonalization 2 local density approximation 2 pseudopotential construction) 2 71.20.-b Electron density of states and band structure of crystalline solids 1
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Article 2
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Ahmad, A. 2 Alsaad, A. 2
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The European Physical Journal B - Condensed Matter and Complex Systems 2
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RePEc 2
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Optical and piezoelectric anomalies of ordered (Sc, Ga) N and (Sc, In) N ternaries
Alsaad, A.; Ahmad, A. - In: The European Physical Journal B - Condensed Matter and … 65 (2008) 1, pp. 65-77
Persistent link: https://www.econbiz.de/10009282683
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Piezoelectricity of ordered (Sc<Subscript>x</Subscript>Ga<Subscript>1-x</Subscript>N) alloys from first principles
Alsaad, A.; Ahmad, A. - In: The European Physical Journal B - Condensed Matter and … 54 (2006) 2, pp. 151-156
First-principles calculations are performed to compute the e<Subscript>33</Subscript> piezoelectric coefficients of GaN, ScN and (Sc<Subscript>x</Subscript>Ga<Subscript>1-x</Subscript>N) alloys exhibiting an alternation of hexagonal GaN, with hexagonal ScN along the c-axis. For Sc compositions larger than 50%, each atom has nearly five nearest neighbors (i.e.,...</subscript></subscript></subscript>
Persistent link: https://www.econbiz.de/10009280103
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