Calculation of Interplanar Spacing in Hexagonal Close-Packed Crystal
نویسندگان
چکیده
منابع مشابه
Rovibrational states of a tetrahedral molecule in a hexagonal close-packed crystal
The vibration-rotation states of a tetrahedral molecule in a field of D3h symmetry are studied by an extended group theory. Symmetry adapted rotational wave functions for the ground and the triply degenerate excited vibrational states are constructed. The crystal field potential is derived explicitly for a tetrahedral molecule in a hexagonal close-packed crystal. As an example, the rovibrationa...
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The free energy and other thermodynamic properties of hexagonal-close-packed iron are calculated by direct ab initio methods over a wide range of pressures and temperatures relevant to the Earth’s core. The ab initio calculations are based on density-functional theory in the generalized-gradient approximation, and are performed using the projector augmented wave approach. Thermal excitation of ...
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ژورنال
عنوان ژورنال: Material Sciences
سال: 2012
ISSN: 2160-7613,2160-7621
DOI: 10.12677/ms.2012.22012