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High-pressure powder x-ray diffraction experiments and ab initio calculation of
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10.1063/1.3159035
/content/aip/journal/jap/106/1/10.1063/1.3159035
http://aip.metastore.ingenta.com/content/aip/journal/jap/106/1/10.1063/1.3159035

Figures

Image of FIG. 1.
FIG. 1.

Typical x-ray diffraction patterns of powders recorded under pressure. The meaning of “de” is decompression. The diameter of the hole in the gasket is decreased with pressure; therefore, the existence of iron can be detected. There exists a transformation from bcc iron to hcp iron at 13 GPa, which is well documented in literature (Ref. 26).

Image of FIG. 2.
FIG. 2.

Lattice parameters of as a function of pressure.

Image of FIG. 3.
FIG. 3.

Variations of relative lattice parameters vs hydrostatic pressure.

Image of FIG. 4.
FIG. 4.

Unit cell volume of as a function of pressure.

Image of FIG. 5.
FIG. 5.

Charge density on the plane of for pressures of (a) zero and (b) 36 GPa.

Image of FIG. 6.
FIG. 6.

Normalized bond lengths in unit cell as a function of pressure.

Tables

Generic image for table
Table I.

Summary of lattice parameters, unit cell volume, and their relative changes with pressures.

Generic image for table
Table II.

Ab initio calculations of lattice parameters, unit cell volume, and the bond lengths of , , and with pressures.

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/content/aip/journal/jap/106/1/10.1063/1.3159035
2009-07-09
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2
http://aip.metastore.ingenta.com/content/aip/journal/jap/106/1/10.1063/1.3159035
10.1063/1.3159035
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