Static Structure Factor of Frenkel-Kontorowa Systems at High-Temperatures:Application to K-Hollandite
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Discussion or the static structure ractor .5(V) for the Frenkel-Kontorowasystems is made on the basis of a high-temperature expansion of the transfer-integral equation [TIE]. The approximate solution of the TIE can be expressed interms of an arbitrary order of the modified Bessel function I., the use of whichfor S(q) within the 20th-order of I. reveals that S(q) converges quite well, forexample, in the regions of the substrate potential U/k?Tw U,',4 for the correla-tion length r.-'=3.l. Application to the K-hollandite [K...3Mg..77Ti7.z,0..1shows that S(q) for Up<4 does not properly reproduce the experimental result,but gives rise to a consistent result for Up=S and r.-'=3.l whose values are ingood agreement with 6 and 5.1, respectively, theoretically obtained by Beyeler-Pietronero-StrMssIer from their configurational model analysis. An effect of Uturns out to be evident in the K-hollandite.
- 社団法人日本物理学会の論文
- 1983-12-15
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