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Strain effects and band parameters in MgO, ZnO, and CdO
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10.1063/1.4759107
/content/aip/journal/apl/101/15/10.1063/1.4759107
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/15/10.1063/1.4759107

Figures

Image of FIG. 1.
FIG. 1.

The change in crystal-field splitting () from its unstrained value () for wurzite MgO, ZnO, and CdO under (a) biaxial strain in the c plane and (b) uniaxial strain along the c axis.

Tables

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Table I.

Equilibrium lattice parameters (a, c, and u) obtained with HSE06 and bandgaps () and crystal-field splitting obtained with both HSE06 and the @OEPx(cLDA) method at HSE06 equilibrium lattice parameters. For ZnO, experimental lattice parameters at T = 300 K, bandgap at T = 300 K and crystal-field splitting values are included for comparison (from Refs. 26 and 27).

Generic image for table
Table II.

Deformation potentials (in eV) of wurtzite MgO, ZnO, and CdO obtained by HSE06 calculations. Experimental data for ZnO are also shown.

Generic image for table
Table III.

Luttinger parameters ( is in eV Å, all others are dimensionless) and transition matrix elements (in eV) of wurtzite MgO, ZnO, and CdO obtained with both HSE06 and the @OEPx(cLDA) approaches. The effective masses are derived from the Luttinger parameters using the “near-” approximation9 and the spin-orbit splittings reported by Schleife et al. 15

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/content/aip/journal/apl/101/15/10.1063/1.4759107
2012-10-10
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Strain effects and band parameters in MgO, ZnO, and CdO
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/15/10.1063/1.4759107
10.1063/1.4759107
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