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Ab initio calculations of structural properties of
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10.1063/1.2884580
/content/aip/journal/jap/103/6/10.1063/1.2884580
http://aip.metastore.ingenta.com/content/aip/journal/jap/103/6/10.1063/1.2884580

Figures

Image of FIG. 1.
FIG. 1.

Total energy vs volume for (a) GaN (b) , and (c) ScN.

Image of FIG. 2.
FIG. 2.

Lattice constant of vs Sc concentration .

Image of FIG. 3.
FIG. 3.

Bulk modulus of vs Sc concentration .

Image of FIG. 4.
FIG. 4.

Pressure derivative of bulk modulus of vs Sc concentration .

Image of FIG. 5.
FIG. 5.

Enthalpy vs pressure for (a) GaN, (b) , (c) ScN.

Tables

Generic image for table
Table I.

Equilibrium lattice constant , bulk modulus , and pressure derivative of for the , , and phases of at various compositions .

Generic image for table
Table II.

Transition pressures for at various scandium concentrations .

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/content/aip/journal/jap/103/6/10.1063/1.2884580
2008-03-20
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ab initio calculations of structural properties of ScxGa1−xN
http://aip.metastore.ingenta.com/content/aip/journal/jap/103/6/10.1063/1.2884580
10.1063/1.2884580
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