Conversion of Cv [ T, V ( T )] to Cv [ T, V (0°K)] with Application to Na and Cu

The thermodynamic quantity E(T)= ∫ V0V(∂Cv/∂V)TdV=Cv[T,V(T)]−Cv[T,V(0∘K)]may be evaluated in terms of the thermal expansion and the coefficients, ai's, in the solid equation of state and their derivatives. Slater's procedure for E(T) is extended herein to the case in which the ai's ar...

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Veröffentlicht in:The Journal of chemical physics 1962-12, Vol.37 (12), p.2975-2985
1. Verfasser: Overton, William C.
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description The thermodynamic quantity E(T)= ∫ V0V(∂Cv/∂V)TdV=Cv[T,V(T)]−Cv[T,V(0∘K)]may be evaluated in terms of the thermal expansion and the coefficients, ai's, in the solid equation of state and their derivatives. Slater's procedure for E(T) is extended herein to the case in which the ai's are arbitrary functions of temperature and pressure. This E(T) is then transformed to a second equivalent form in terms of the bulk modulus and its temperature and pressure derivatives. It is seen that Cv[T, V(0)] may be determined entirely from experimental data. The lattice specific heat CL[T,V(0)]=Cv[T,V(0)]−Tγe[V(0)], this form being the physically correct way of calculating CL from electronic specific heat measured at low temperatures, is determined for Na and Cu. The CL[T, V(0)] of Na is compared with the Born—von Kármán theoretical Ctheoret calculated by C. B. Clark; this comparison indicating an anharmonic CL of the form Ctheoret (1+AT+BTn), (5
doi_str_mv 10.1063/1.1733128
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Slater's procedure for E(T) is extended herein to the case in which the ai's are arbitrary functions of temperature and pressure. This E(T) is then transformed to a second equivalent form in terms of the bulk modulus and its temperature and pressure derivatives. It is seen that Cv[T, V(0)] may be determined entirely from experimental data. The lattice specific heat CL[T,V(0)]=Cv[T,V(0)]−Tγe[V(0)], this form being the physically correct way of calculating CL from electronic specific heat measured at low temperatures, is determined for Na and Cu. The CL[T, V(0)] of Na is compared with the Born—von Kármán theoretical Ctheoret calculated by C. B. Clark; this comparison indicating an anharmonic CL of the form Ctheoret (1+AT+BTn), (5&lt;n&lt;6), where A is only one-sixth that calculated by Leibfried and Ludwig for Cp[T, V(T)]. Comparison of CL[T, V(0)] of copper with theoretical specific heat calculated by the author shows quantitative agreement (within 0.2% from 50° to 300°K) thus indicating the adequacy of the central force model with nearest- and next-nearest-neighbor forces used.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.1733128</identifier><language>eng</language><ispartof>The Journal of chemical physics, 1962-12, Vol.37 (12), p.2975-2985</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c159t-32b8c446ea4bc109fea517f3c3c42e7203fafd78560a7562974c91ca310ddad83</citedby><cites>FETCH-LOGICAL-c159t-32b8c446ea4bc109fea517f3c3c42e7203fafd78560a7562974c91ca310ddad83</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27922,27923</link.rule.ids></links><search><creatorcontrib>Overton, William C.</creatorcontrib><title>Conversion of Cv [ T, V ( T )] to Cv [ T, V (0°K)] with Application to Na and Cu</title><title>The Journal of chemical physics</title><description>The thermodynamic quantity E(T)= ∫ V0V(∂Cv/∂V)TdV=Cv[T,V(T)]−Cv[T,V(0∘K)]may be evaluated in terms of the thermal expansion and the coefficients, ai's, in the solid equation of state and their derivatives. Slater's procedure for E(T) is extended herein to the case in which the ai's are arbitrary functions of temperature and pressure. This E(T) is then transformed to a second equivalent form in terms of the bulk modulus and its temperature and pressure derivatives. It is seen that Cv[T, V(0)] may be determined entirely from experimental data. The lattice specific heat CL[T,V(0)]=Cv[T,V(0)]−Tγe[V(0)], this form being the physically correct way of calculating CL from electronic specific heat measured at low temperatures, is determined for Na and Cu. The CL[T, V(0)] of Na is compared with the Born—von Kármán theoretical Ctheoret calculated by C. B. Clark; this comparison indicating an anharmonic CL of the form Ctheoret (1+AT+BTn), (5&lt;n&lt;6), where A is only one-sixth that calculated by Leibfried and Ludwig for Cp[T, V(T)]. Comparison of CL[T, V(0)] of copper with theoretical specific heat calculated by the author shows quantitative agreement (within 0.2% from 50° to 300°K) thus indicating the adequacy of the central force model with nearest- and next-nearest-neighbor forces used.</description><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1962</creationdate><recordtype>article</recordtype><recordid>eNpNkMFKw0AURQdRMFYX_sFbWjD1vZnJTGZZglWxKEJ0IxKmkxmM1KRkYsW_8hv8MlvswtWFw713cRg7JZwQKnFBE9JCEM_3WEKYm1Qrg_ssQeSUGoXqkB3F-IaIpLlM2EPRtWvfx6ZroQtQrOEZynN4gjMoYfwCQ_ef4c_37QZ-NsMrTFerZePssF1uWncWbFtD8XHMDoJdRn-yyxF7nF2WxXU6v7-6Kabz1FFmhlTwRe6kVN7KhSM0wduMdBBOOMm95iiCDbXOM4VWZ4obLZ0hZwVhXds6FyM2_vt1fRdj70O16pt3239VhNXWRUXVzoX4BZGeTIo</recordid><startdate>19621215</startdate><enddate>19621215</enddate><creator>Overton, William C.</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>19621215</creationdate><title>Conversion of Cv [ T, V ( T )] to Cv [ T, V (0°K)] with Application to Na and Cu</title><author>Overton, William C.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c159t-32b8c446ea4bc109fea517f3c3c42e7203fafd78560a7562974c91ca310ddad83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1962</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Overton, William C.</creatorcontrib><collection>CrossRef</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Overton, William C.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Conversion of Cv [ T, V ( T )] to Cv [ T, V (0°K)] with Application to Na and Cu</atitle><jtitle>The Journal of chemical physics</jtitle><date>1962-12-15</date><risdate>1962</risdate><volume>37</volume><issue>12</issue><spage>2975</spage><epage>2985</epage><pages>2975-2985</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><abstract>The thermodynamic quantity E(T)= ∫ V0V(∂Cv/∂V)TdV=Cv[T,V(T)]−Cv[T,V(0∘K)]may be evaluated in terms of the thermal expansion and the coefficients, ai's, in the solid equation of state and their derivatives. Slater's procedure for E(T) is extended herein to the case in which the ai's are arbitrary functions of temperature and pressure. This E(T) is then transformed to a second equivalent form in terms of the bulk modulus and its temperature and pressure derivatives. It is seen that Cv[T, V(0)] may be determined entirely from experimental data. The lattice specific heat CL[T,V(0)]=Cv[T,V(0)]−Tγe[V(0)], this form being the physically correct way of calculating CL from electronic specific heat measured at low temperatures, is determined for Na and Cu. The CL[T, V(0)] of Na is compared with the Born—von Kármán theoretical Ctheoret calculated by C. B. Clark; this comparison indicating an anharmonic CL of the form Ctheoret (1+AT+BTn), (5&lt;n&lt;6), where A is only one-sixth that calculated by Leibfried and Ludwig for Cp[T, V(T)]. Comparison of CL[T, V(0)] of copper with theoretical specific heat calculated by the author shows quantitative agreement (within 0.2% from 50° to 300°K) thus indicating the adequacy of the central force model with nearest- and next-nearest-neighbor forces used.</abstract><doi>10.1063/1.1733128</doi><tpages>11</tpages></addata></record>
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title Conversion of Cv [ T, V ( T )] to Cv [ T, V (0°K)] with Application to Na and Cu
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