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First-principles study of high-pressure phonon dispersions of wurtzite, zinc-blende, and rocksalt AlN
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10.1063/1.2828151
/content/aip/journal/jap/103/1/10.1063/1.2828151
http://aip.metastore.ingenta.com/content/aip/journal/jap/103/1/10.1063/1.2828151

Figures

Image of FIG. 1.
FIG. 1.

(a). Phonon-dispersion curves and the phonon density of states (DOS) for wurtzite AlN at normal and pressure. (b) Phonon-dispersion curves and the phonon DOS for zinc-blende AlN at normal and pressure. (c) Phonon-dispersion curves and the phonon DOS for rocksalt AlN at normal and pressure.

Image of FIG. 2.
FIG. 2.

(a) Zone-center optical frequencies for wurtzite AlN as a function of pressure. (b) Zone-center optical frequencies for zinc-blende AlN as a function of pressure. (c) Zone-center optical frequencies for rocksalt AlN as a function of pressure.

Image of FIG. 3.
FIG. 3.

Difference frequencies of LO and TO phonons for wurtzite, zinc-blende, and rocksalt AlN as a function of pressure.

Tables

Generic image for table
Table I.

Zone-center phonon frequencies in units of for AlN in the (a) wurtzite structure, (b) zinc-blende structure, and (c) rocksalt structure at zero pressure.

Generic image for table
Table II.

Calculated mode Grüneisen parameters for the zone-center phonons in wurtzite, zinc-blende, and rocksalt AlN structures.

Generic image for table
Table III.

Values of parameters and obtained by fitting the dependence of the zone-center phonon frequencies of wurtzite, zinc-blende, and rocksalt AlN structures on pressure to .

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/content/aip/journal/jap/103/1/10.1063/1.2828151
2008-01-04
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles study of high-pressure phonon dispersions of wurtzite, zinc-blende, and rocksalt AlN
http://aip.metastore.ingenta.com/content/aip/journal/jap/103/1/10.1063/1.2828151
10.1063/1.2828151
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