Theoretical surface morphology of {0112} acute rhombohedron of calcite A comparison with experiments and {1014} cleavage rhombohedron
Theoretical surface profiles of the {0112} form of calcite crystal are drawn by applying the Hartman-Perdok method that allows to build non-polar outermost crystal layers without imposing arbitrary surface reconstructions. Profiles consistent with the bulk crystal symmetry are showed to correspond t...
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| Veröffentlicht in: | Journal of crystal growth 2008-02, Vol.310 (3), p.706-715 |
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| container_title | Journal of crystal growth |
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| creator | MASSARO, F. R PASTERO, L RUBBO, M AQUILANO, D |
| description | Theoretical surface profiles of the {0112} form of calcite crystal are drawn by applying the Hartman-Perdok method that allows to build non-polar outermost crystal layers without imposing arbitrary surface reconstructions. Profiles consistent with the bulk crystal symmetry are showed to correspond to minima of the surface energy for both the Ca2+ and CO32- terminated profiles. To take into account the interface vibration entropy and the energy of water adsorption is crucial to evaluate the relative variations of the surface free energy of {0112} and {1014} rhombohedra with temperature and to explain why both forms can make the equilibrium shape of the crystal. Furthermore, the calculation of the edge energies allows to account for the surface patterns observed on both rhombohedra. |
| doi_str_mv | 10.1016/j.jcrysgro.2007.11.086 |
| format | Article |
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R</au><au>PASTERO, L</au><au>RUBBO, M</au><au>AQUILANO, D</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Theoretical surface morphology of {0112} acute rhombohedron of calcite A comparison with experiments and {1014} cleavage rhombohedron</atitle><jtitle>Journal of crystal growth</jtitle><date>2008-02-01</date><risdate>2008</risdate><volume>310</volume><issue>3</issue><spage>706</spage><epage>715</epage><pages>706-715</pages><issn>0022-0248</issn><eissn>1873-5002</eissn><coden>JCRGAE</coden><abstract>Theoretical surface profiles of the {0112} form of calcite crystal are drawn by applying the Hartman-Perdok method that allows to build non-polar outermost crystal layers without imposing arbitrary surface reconstructions. Profiles consistent with the bulk crystal symmetry are showed to correspond to minima of the surface energy for both the Ca2+ and CO32- terminated profiles. To take into account the interface vibration entropy and the energy of water adsorption is crucial to evaluate the relative variations of the surface free energy of {0112} and {1014} rhombohedra with temperature and to explain why both forms can make the equilibrium shape of the crystal. Furthermore, the calculation of the edge energies allows to account for the surface patterns observed on both rhombohedra.</abstract><cop>Amsterdam</cop><pub>Elsevier</pub><doi>10.1016/j.jcrysgro.2007.11.086</doi><tpages>10</tpages></addata></record> |
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| ispartof | Journal of crystal growth, 2008-02, Vol.310 (3), p.706-715 |
| issn | 0022-0248 1873-5002 |
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| source | Elsevier ScienceDirect Journals Complete |
| subjects | Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Exact sciences and technology Growth from solutions Inorganic compounds Materials science Methods of crystal growth physics of crystal growth Physics Solid surfaces and solid-solid interfaces Structure of solids and liquids crystallography Structure of specific crystalline solids Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Thermal properties of condensed matter Thermal properties of crystalline solids Thermodynamic properties |
| title | Theoretical surface morphology of {0112} acute rhombohedron of calcite A comparison with experiments and {1014} cleavage rhombohedron |
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