Phonon dispersion in mixed alkali halide crystal Na0.5K0.5Cl |
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| Institution: | 1. Department of Physics, St John''s College, Agra, India;1. Agra College, Agra, India;1. Beijing Key Laboratory of Functional Materials for Building Structure and Environment Remediation, Beijing University of Civil Engineering and Architecture, Beijing, 100044, China;2. Key Laboratory of Urban Stormwater System and Water Environment (Ministry of Education), Beijing University of Civil Engineering and Architecture, Beijing, 100044, China;1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, PR China;2. Department of Chemistry, University of Cambridge, CB2 1EW, UK;3. Shanghai Normal University, Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai, 200234, PR China;4. College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou, 310014, PR China;1. Department of Chemistry, Dalian University of Technology, Dalian 116024, PR China;2. Department of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, PR China;1. Institute of Mathematics, State Academy of Sciences, Pyongyang, Democratic People''s Republic of Korea;2. Institute of Frontier Technique, University of Science, Pyongyang, Democratic People''s Republic of Korea;3. Teacher Training College, State Institute of Education, Pyongsong, Democratic People''s Republic of Korea;4. Institute of Science Strategy, State Academy of Sciences, Pyongyang, Democratic People''s Republic of Korea;1. Department of Chemistry, Dalian University of Technology, Dalian 116024, PR China;2. Department of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, PR China |
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| Abstract: | In the present paper we have calculated the phonon dispersion curves of the mixed alkali halide Na0.5K0.5Cl using the modified three body force shell model, in all the three symmetry directions (q, o, o), (q, q, o) and (q, q, q). The model consists of long range three body interactions and the short range overlap repulsion. The repulsive parameters are calculated from the expressions for elastic constants derived for NaCl structure. The results will stimulate the experimentalist. |
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