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Semi-empirical potentials for CuI

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dc.contributor.authorDalgic, SS
dc.contributor.authorGurbuz, H
dc.contributor.authorCaliskan, M
dc.contributor.authorOzgec, O
dc.date.accessioned2026-06-27T13:05:17Z
dc.date.issued2005
dc.description.abstractWe have investigated the prospects for developing semi-empirical model potentials for use in the studies of structural properties of CuI with integral equation theories. The point of view adopted requires that only short range two atom and three atom interactions appear. A three-body potential of Tersoff has been tasted with the hypernetted chain integral equation by calculating the pair correlation function for CuI at 710 K. The two-body and three-body Kohen-Tully-Stillinger empirical interatomic potential has been applied. The structural results of liquid CuI have been compared with experiment and those obtained by rigid ion potentials.en
dc.identifier.eissn1841-7132
dc.identifier.endpage2068
dc.identifier.issn1454-4164
dc.identifier.issue4
dc.identifier.startpage2059
dc.identifier.urihttps://hdl.handle.net/20.500.14981/49538
dc.identifier.volume7
dc.identifier.wos000231406500049
dc.language.isoeng
dc.publisherNATL INST OPTOELECTRONICS
dc.relation.conference2nd International Workshop on Amorphous and Nanostructured Chalcogenides
dc.relation.ispartofJOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS
dc.subjectsemi-empirical potentials
dc.subjectCuI
dc.subjectstructure
dc.subjectMOLECULAR-DYNAMICS SIMULATION
dc.subjectCOMPUTER-SIMULATION
dc.subjectIONIC-CONDUCTION
dc.subjectPAIR POTENTIALS
dc.subjectSILICON
dc.subjectMETALS
dc.subjectCUBR
dc.subjectCUCL
dc.subjectCOORDINATION
dc.subjectTRANSITION
dc.subjectMaterials Science
dc.subjectOptics
dc.subjectPhysics
dc.titleSemi-empirical potentials for CuI
dc.typeArticle; Proceedings Paper
dspace.entity.typePublication
local.import.sourceWOS

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