A General Valence Force Field for Diamond
Expressions are obtained which relate the force constants of a general valence force field to the macroscopic elastic constants and the Raman frequency of diamond-type crystals. When values of the valence force constants derived from the frequencies of the neopentane molecule are used in these expre...
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| Veröffentlicht in: | Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences Mathematical and physical sciences, 1962-08, Vol.268 (1335), p.474-484 |
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| container_end_page | 484 |
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| container_issue | 1335 |
| container_start_page | 474 |
| container_title | Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences |
| container_volume | 268 |
| creator | Musgrave, M. J. P. Pople, John Anthony |
| description | Expressions are obtained which relate the force constants of a general valence force field to the macroscopic elastic constants and the Raman frequency of diamond-type crystals. When values of the valence force constants derived from the frequencies of the neopentane molecule are used in these expressions, poor agreement is found with the observed physical constants of diamond. It is suggested that the interaction constant associating bond extension with angular deformation is most seriously altered in the diamond structure, but a more definite conclusion must await improved experimental determinations of the elastic constants. |
| doi_str_mv | 10.1098/rspa.1962.0153 |
| format | Article |
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It is suggested that the interaction constant associating bond extension with angular deformation is most seriously altered in the diamond structure, but a more definite conclusion must await improved experimental determinations of the elastic constants.</description><identifier>ISSN: 1364-5021</identifier><identifier>ISSN: 0080-4630</identifier><identifier>EISSN: 1471-2946</identifier><identifier>EISSN: 2053-9169</identifier><identifier>DOI: 10.1098/rspa.1962.0153</identifier><language>eng</language><publisher>London: The Royal Society</publisher><subject>Atoms ; Chemical bonding ; Crystals ; Force field ; Grammatical particles ; Mathematical constants ; Molecules ; Potential energy ; Stiffness ; Vibration</subject><ispartof>Proceedings of the Royal Society of London. 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It is suggested that the interaction constant associating bond extension with angular deformation is most seriously altered in the diamond structure, but a more definite conclusion must await improved experimental determinations of the elastic constants.</description><subject>Atoms</subject><subject>Chemical bonding</subject><subject>Crystals</subject><subject>Force field</subject><subject>Grammatical particles</subject><subject>Mathematical constants</subject><subject>Molecules</subject><subject>Potential energy</subject><subject>Stiffness</subject><subject>Vibration</subject><issn>1364-5021</issn><issn>0080-4630</issn><issn>1471-2946</issn><issn>2053-9169</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1962</creationdate><recordtype>article</recordtype><recordid>eNp9j8lv1DAUhyNUJNrClROHXHvI4BevOaHpjlSJsg3HJ09sUw9pHNkZYPrXkwVVGiF68aL3W96XZa-BLIBU6m1MnV5AJcoFAU6fZYfAJBRlxcTB8KaCFZyU8CI7SmlDCKm4kofZyTK_sq2NuslXurFtbfPLEMfT28bkLsT83Ov70JqX2XOnm2Rf_b2Ps6-XF1_OroubD1fvz5Y3Rc0Z6wtdKsK4JmINzFjprKmNKC2x0gCspdCOCg3aVQIMVYopbRxZr4lQFWfcMXqcLebcOoaUonXYRX-v4w6B4AiKIyiOoDiCDoY0G2LYDYuF2tt-h5uwje3wxU-fb5dQUfWzFMoDpRyJokA4BS7xwXdT3CjAQYA-pa3FSbZf828rfar1v7u-mV2b1If4SFYyYJTKYVzMY596-_txrOMPFJJKjivFcPWNn8K5uMWPg_7drL_z3-9--Whxb5upvA5tb9t-opu4mGTotk2DnXFDAjyZEHZdTHrPTP8Acam8Qw</recordid><startdate>19620807</startdate><enddate>19620807</enddate><creator>Musgrave, M. 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A</addtitle><date>1962-08-07</date><risdate>1962</risdate><volume>268</volume><issue>1335</issue><spage>474</spage><epage>484</epage><pages>474-484</pages><issn>1364-5021</issn><issn>0080-4630</issn><eissn>1471-2946</eissn><eissn>2053-9169</eissn><abstract>Expressions are obtained which relate the force constants of a general valence force field to the macroscopic elastic constants and the Raman frequency of diamond-type crystals. When values of the valence force constants derived from the frequencies of the neopentane molecule are used in these expressions, poor agreement is found with the observed physical constants of diamond. It is suggested that the interaction constant associating bond extension with angular deformation is most seriously altered in the diamond structure, but a more definite conclusion must await improved experimental determinations of the elastic constants.</abstract><cop>London</cop><pub>The Royal Society</pub><doi>10.1098/rspa.1962.0153</doi><tpages>11</tpages></addata></record> |
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| ispartof | Proceedings of the Royal Society of London. Series A, Mathematical and physical sciences, 1962-08, Vol.268 (1335), p.474-484 |
| issn | 1364-5021 0080-4630 1471-2946 2053-9169 |
| language | eng |
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| source | JSTOR Mathematics & Statistics; JSTOR Archive Collection A-Z Listing |
| subjects | Atoms Chemical bonding Crystals Force field Grammatical particles Mathematical constants Molecules Potential energy Stiffness Vibration |
| title | A General Valence Force Field for Diamond |
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