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First-principles elastic stiffness of monazite
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10.1063/1.2005392
/content/aip/journal/apl/87/5/10.1063/1.2005392
http://aip.metastore.ingenta.com/content/aip/journal/apl/87/5/10.1063/1.2005392

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Crystal structure of monazite. The distorted tetrahedra represent units, in which the corners are O atoms and P atoms locate inside. La is nine-fold coordinated by O atoms (indexed by No. 1–9).

Image of FIG. 2.
FIG. 2.

(Color online) Electronic total density of states of monazite at various shear strains. The inset is the first-principles strain-stress relationship.

Tables

Generic image for table
Table I.

Computed second-order elastic constants (in GPa) of monazite, together with theoretical and experimental values of scheelite.

Generic image for table
Table II.

Computed bulk modulus , shear modulus , anisotropic Young’s moduli , and Poisson’s ratio of monazite, together with the experimental data for comparison.

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/content/aip/journal/apl/87/5/10.1063/1.2005392
2005-07-25
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles elastic stiffness of LaPO4 monazite
http://aip.metastore.ingenta.com/content/aip/journal/apl/87/5/10.1063/1.2005392
10.1063/1.2005392
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