在跳变率和自旋动力学之间的任意关系的有机半导体中自旋相关的蒙特卡罗模拟

IF 3.7 2区物理与天体物理 Q1 Physics and Astronomy

Physical Review B Pub Date : 2025-01-21 DOI:10.1103/physrevb.111.014202

I. V. Tolkachev, Y. M. Beltukov, A. V. Shumilin

{"title":"在跳变率和自旋动力学之间的任意关系的有机半导体中自旋相关的蒙特卡罗模拟","authors":"I. V. Tolkachev, Y. M. Beltukov, A. V. Shumilin","doi":"10.1103/physrevb.111.014202","DOIUrl":null,"url":null,"abstract":"We present a kinetic Monte Carlo (KMC) algorithm designed to study spin correlation phenomena in organic semiconductors including the effect of a magnetic field on electroluminescence and organic magnetoresistance. It allows for an arbitrary relation between hopping rates and spin-precession frequencies, and it incorporates an intermediate averaging procedure to model the spin relaxation within a single KMC simulation run. Our results demonstrate that even a small fraction of hops occurring faster than spin precession can significantly impact the width of the magnetic field dependence of the electroluminescence, which is typically associated with the strength of the hyperfine interaction between electron and nuclear spins. Published by the American Physical Society 2025 ","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"32 1","pages":""},"PeriodicalIF":3.7000,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Monte Carlo simulation of spin correlations in organic semiconductors with an arbitrary relation between hopping rates and spin dynamics\",\"authors\":\"I. V. Tolkachev, Y. M. Beltukov, A. V. Shumilin\",\"doi\":\"10.1103/physrevb.111.014202\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We present a kinetic Monte Carlo (KMC) algorithm designed to study spin correlation phenomena in organic semiconductors including the effect of a magnetic field on electroluminescence and organic magnetoresistance. It allows for an arbitrary relation between hopping rates and spin-precession frequencies, and it incorporates an intermediate averaging procedure to model the spin relaxation within a single KMC simulation run. Our results demonstrate that even a small fraction of hops occurring faster than spin precession can significantly impact the width of the magnetic field dependence of the electroluminescence, which is typically associated with the strength of the hyperfine interaction between electron and nuclear spins. Published by the American Physical Society 2025 \",\"PeriodicalId\":20082,\"journal\":{\"name\":\"Physical Review B\",\"volume\":\"32 1\",\"pages\":\"\"},\"PeriodicalIF\":3.7000,\"publicationDate\":\"2025-01-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical Review B\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1103/physrevb.111.014202\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Physics and Astronomy\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Review B","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1103/physrevb.111.014202","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Physics and Astronomy","Score":null,"Total":0}

引用次数: 0

摘要

我们提出了一种动力学蒙特卡罗（KMC）算法，旨在研究有机半导体中的自旋相关现象，包括磁场对电致发光和有机磁阻的影响。该算法允许在跳跃率和自旋跃迁频率之间建立任意关系，并结合了中间平均程序，以便在单次 KMC 模拟运行中建立自旋弛豫模型。我们的研究结果表明，即使一小部分跳变发生的速度快于自旋前驱，也会显著影响电致发光的磁场相关性宽度，而磁场相关性通常与电子自旋和核自旋之间超频相互作用的强度有关。由美国物理学会出版 2025

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Monte Carlo simulation of spin correlations in organic semiconductors with an arbitrary relation between hopping rates and spin dynamics

We present a kinetic Monte Carlo (KMC) algorithm designed to study spin correlation phenomena in organic semiconductors including the effect of a magnetic field on electroluminescence and organic magnetoresistance. It allows for an arbitrary relation between hopping rates and spin-precession frequencies, and it incorporates an intermediate averaging procedure to model the spin relaxation within a single KMC simulation run. Our results demonstrate that even a small fraction of hops occurring faster than spin precession can significantly impact the width of the magnetic field dependence of the electroluminescence, which is typically associated with the strength of the hyperfine interaction between electron and nuclear spins.

Published by the American Physical Society

2025

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Physical Review B 物理-物理：凝聚态物理

CiteScore

6.70

自引率

32.40%

发文量

审稿时长

3.0 months

期刊介绍： Physical Review B (PRB) is the world’s largest dedicated physics journal, publishing approximately 100 new, high-quality papers each week. The most highly cited journal in condensed matter physics, PRB provides outstanding depth and breadth of coverage, combined with unrivaled context and background for ongoing research by scientists worldwide. PRB covers the full range of condensed matter, materials physics, and related subfields, including: -Structure and phase transitions -Ferroelectrics and multiferroics -Disordered systems and alloys -Magnetism -Superconductivity -Electronic structure, photonics, and metamaterials -Semiconductors and mesoscopic systems -Surfaces, nanoscience, and two-dimensional materials -Topological states of matter