{"title":"用于固态量子应用的精确超频张量:金刚石中的 NV 中心案例","authors":"István Takács, Viktor Ivády","doi":"10.1038/s42005-024-01668-9","DOIUrl":null,"url":null,"abstract":"The decoherence of point defect qubits is often governed by the electron spin-nuclear spin hyperfine interaction that can be parameterized by using ab inito calculations in principle. So far most of the theoretical works have focused on the hyperfine interaction of the closest nuclear spins, while the accuracy of the predictions for distinct nuclear spins is barely discussed. Here we demonstrate for the case of the NV center in diamond that the absolute relative error of the computed hyperfine parameters can exceed 100% using an industry standards first-principles code. To overcome this issue, we implement an alternative method and report on significantly improved hyperfine values with $${{{{{{{\\mathcal{O}}}}}}}}$$ (1%) relative mean error at all distances. The provided accurate hyperfine data for the NV center enables high-precision simulation of NV quantum nodes for quantum information processing and positioning of nuclear spins by comparing experimental and theoretical hyperfine data. Hyperfine interaction is the key term for utilizing individual nuclear spins in solids. This work introduces a method that yields high-accuracy hyperfine values for nuclear spins at arbitrary distances from addressable electron spins, such as the NV center in diamond.","PeriodicalId":10540,"journal":{"name":"Communications Physics","volume":null,"pages":null},"PeriodicalIF":5.4000,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s42005-024-01668-9.pdf","citationCount":"0","resultStr":"{\"title\":\"Accurate hyperfine tensors for solid state quantum applications: case of the NV center in diamond\",\"authors\":\"István Takács, Viktor Ivády\",\"doi\":\"10.1038/s42005-024-01668-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The decoherence of point defect qubits is often governed by the electron spin-nuclear spin hyperfine interaction that can be parameterized by using ab inito calculations in principle. So far most of the theoretical works have focused on the hyperfine interaction of the closest nuclear spins, while the accuracy of the predictions for distinct nuclear spins is barely discussed. Here we demonstrate for the case of the NV center in diamond that the absolute relative error of the computed hyperfine parameters can exceed 100% using an industry standards first-principles code. To overcome this issue, we implement an alternative method and report on significantly improved hyperfine values with $${{{{{{{\\\\mathcal{O}}}}}}}}$$ (1%) relative mean error at all distances. The provided accurate hyperfine data for the NV center enables high-precision simulation of NV quantum nodes for quantum information processing and positioning of nuclear spins by comparing experimental and theoretical hyperfine data. Hyperfine interaction is the key term for utilizing individual nuclear spins in solids. This work introduces a method that yields high-accuracy hyperfine values for nuclear spins at arbitrary distances from addressable electron spins, such as the NV center in diamond.\",\"PeriodicalId\":10540,\"journal\":{\"name\":\"Communications Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.4000,\"publicationDate\":\"2024-06-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.nature.com/articles/s42005-024-01668-9.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Communications Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.nature.com/articles/s42005-024-01668-9\",\"RegionNum\":1,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Communications Physics","FirstCategoryId":"101","ListUrlMain":"https://www.nature.com/articles/s42005-024-01668-9","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Accurate hyperfine tensors for solid state quantum applications: case of the NV center in diamond
The decoherence of point defect qubits is often governed by the electron spin-nuclear spin hyperfine interaction that can be parameterized by using ab inito calculations in principle. So far most of the theoretical works have focused on the hyperfine interaction of the closest nuclear spins, while the accuracy of the predictions for distinct nuclear spins is barely discussed. Here we demonstrate for the case of the NV center in diamond that the absolute relative error of the computed hyperfine parameters can exceed 100% using an industry standards first-principles code. To overcome this issue, we implement an alternative method and report on significantly improved hyperfine values with $${{{{{{{\mathcal{O}}}}}}}}$$ (1%) relative mean error at all distances. The provided accurate hyperfine data for the NV center enables high-precision simulation of NV quantum nodes for quantum information processing and positioning of nuclear spins by comparing experimental and theoretical hyperfine data. Hyperfine interaction is the key term for utilizing individual nuclear spins in solids. This work introduces a method that yields high-accuracy hyperfine values for nuclear spins at arbitrary distances from addressable electron spins, such as the NV center in diamond.
期刊介绍:
Communications Physics is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the physical sciences. Research papers published by the journal represent significant advances bringing new insight to a specialized area of research in physics. We also aim to provide a community forum for issues of importance to all physicists, regardless of sub-discipline.
The scope of the journal covers all areas of experimental, applied, fundamental, and interdisciplinary physical sciences. Primary research published in Communications Physics includes novel experimental results, new techniques or computational methods that may influence the work of others in the sub-discipline. We also consider submissions from adjacent research fields where the central advance of the study is of interest to physicists, for example material sciences, physical chemistry and technologies.