{"title":"动力学蒙特卡罗模拟中的镜像粒子效应,包括具有周期边界的库仑相互作用","authors":"Maik Schwuchow, Christian Wagner, A. Thränhardt","doi":"10.1109/NUSOD52207.2021.9541534","DOIUrl":null,"url":null,"abstract":"We investigate the photoluminescence of low-dimensional disordered materials, as used e.g. in solar cells, by performing kinetic Monte-Carlo simulations of exciton hopping with periodic boundary conditions. In order to perform numerically efficient calculations, the box length Lbox should be as small as possible while maintaining physically meaningful results during the presence of exciton-exciton-interaction. Exciton-exciton interaction can be approximated by attractive dipole-dipole-interaction in the limit of long distances. We study the convergence of a direct summation approach instead of the Ewald summation technique.","PeriodicalId":6780,"journal":{"name":"2021 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)","volume":"1 1","pages":"141-142"},"PeriodicalIF":0.0000,"publicationDate":"2021-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mirror particle effects in kinetic Monte Carlo simulations including Coulomb interaction with periodic boundaries\",\"authors\":\"Maik Schwuchow, Christian Wagner, A. Thränhardt\",\"doi\":\"10.1109/NUSOD52207.2021.9541534\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We investigate the photoluminescence of low-dimensional disordered materials, as used e.g. in solar cells, by performing kinetic Monte-Carlo simulations of exciton hopping with periodic boundary conditions. In order to perform numerically efficient calculations, the box length Lbox should be as small as possible while maintaining physically meaningful results during the presence of exciton-exciton-interaction. Exciton-exciton interaction can be approximated by attractive dipole-dipole-interaction in the limit of long distances. We study the convergence of a direct summation approach instead of the Ewald summation technique.\",\"PeriodicalId\":6780,\"journal\":{\"name\":\"2021 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)\",\"volume\":\"1 1\",\"pages\":\"141-142\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-09-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2021 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/NUSOD52207.2021.9541534\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2021 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/NUSOD52207.2021.9541534","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Mirror particle effects in kinetic Monte Carlo simulations including Coulomb interaction with periodic boundaries
We investigate the photoluminescence of low-dimensional disordered materials, as used e.g. in solar cells, by performing kinetic Monte-Carlo simulations of exciton hopping with periodic boundary conditions. In order to perform numerically efficient calculations, the box length Lbox should be as small as possible while maintaining physically meaningful results during the presence of exciton-exciton-interaction. Exciton-exciton interaction can be approximated by attractive dipole-dipole-interaction in the limit of long distances. We study the convergence of a direct summation approach instead of the Ewald summation technique.