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First principles calculation of spin-related quantities for point defect qubit research

npj Computational Materials 2018年第1期4卷 32-44页

作者： Viktor Ivády Igor A.Abrikosov adam gali Department of Physics Chemistry and BiologyLinköping UniversitySE-58183 LinköpingSweden Wigner Research Centre for Physics Hungarian Academy of SciencesPO Box 49Budapest H-1525Hungary Materials Modeling and Development Laboratory National University of Science and Technology‘MISIS’119049 MoscowRussia Department of Atomic Physics Budapest University of Technology and EconomicsBudafokiút 8Budapest H-1111Hungary

Point defect research in semiconductors has gained remarkable new momentum due to the identification of special point defects that can implement qubits and single photon emitters with unique ***,these implementations are among the few alternatives for quantum technologies that may operate even at room temperature,and therefore discoveries and characterization of novel point defects may highly facilitate future solid state quantum *** principles calculations play an important role in point defect research,since they provide a direct,extended insight into the formation of the defect *** the last decades,considerable efforts have been made to calculate spin-dependent properties of point defects from first *** developed methods have already demonstrated their essential role in quantitative understanding of the physics and application of point defect ***,we review and discuss accuracy aspects of these novel ab initio methods and report on their most relevant applications for existing point defect qubits in *** pay attention to the advantages and limitations of the methodological solutions and highlight additional developments that are expected in the near ***,we discuss the opportunity of a systematic search for potential point defect qubits,as well as the possible development of predictive spin dynamic simulations facilitated by ab initio calculations of spin-dependent quantities.

关键词： defect quantities principles

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Stone–Wales defects in hexagonal boron nitride as ultraviolet emitters

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npj Computational Materials 2020年第1期6卷 169-175页

作者： Hanen Hamdi GergőThiering Zoltán Bodrog Viktor Ivády adam gali Wigner Research Centre for Physics P.O.Box 49Budapest 1525Hungary Department of Physics Chemistry and BiologyLinköping UniversityLinköping SE-58183Sweden Budapest University of Technology and Economics Budafokiút 8.Budapest 1111Hungary

Many quantum emitters have been measured close or near the grain boundaries of the two-dimensional hexagonal boron nitride where various Stone–Wales defects *** show by means of first principles density functional theory calculations that the pentagon–heptagon Stone–Wales defect is an ultraviolet emitter and its optical properties closely follow the characteristics of a 4.08-eV quantum emitter,often observed in polycrystalline hexagonal boron *** also show that the square–octagon Stone–Wales line defects are optically active in the ultraviolet region with varying gaps depending on their density in hexagonal boron *** results may introduce a paradigm shift in the identification of fluorescent centres in this material.

关键词： Wales boron hexagonal

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Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

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npj Computational Materials 2020年第1期6卷 1332-1337页

作者： Viktor Ivády Gergely Barcza GergőThiering Song Li Hanen Hamdi Jyh-Pin Chou Örs Legeza adam gali Wigner Research Centre for Physics PO Box 49Budapest 1525Hungary Department of Physics Chemistry and BiologyLinköping University58183 LinköpingSweden J.HeyrovskýInstitute of Physical Chemistry Academy of Sciences of the Czech RepublicDolejškova 318223 Prague 8Czech Republic Department of Mechanical Engineering City University of Hong KongKowloon TongHong KongChina Department of Atomic Physics Budapest University of Technology and EconomicsBudafokiút 8.Budapest 1111Hungary

Highly correlated orbitals coupled with phonons in two-dimension are identified for paramagnetic and optically active boron vacancy in hexagonal boron nitride by first principles methods which are responsible for recently observed optically detected magnetic resonance ***,we report ab initio analysis of the correlated electronic structure of this center by density matrix renormalization group and Kohn-Sham density functional theory *** establishing the nature of the bright and dark states as well as the position of the energy levels,we provide a complete description of the magneto-optical properties and corresponding radiative and non-radiative routes which are responsible for the optical spin polarization and spin dependent luminescence of the *** findings pave the way toward advancing the identification and characterization of room temperature quantum bits in two-dimensional solids.

关键词： boron hexagonal vacancy

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A planar defect spin sensor in a two-dimensional material susceptible to strain and electric fields

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npj Computational Materials 2023年第1期9卷 775-782页

作者： Péter Udvarhelyi Tristan Clua-Provost Alrik Durand Jiahan Li James H.Edgar Bernard Gil Guillaume Cassabois Vincent Jacques adam gali Wigner Research Centre for Physics P.O.Box 49H-1525 BudapestHungary Budapest University of Technology and Economics Institute of PhysicsDepartment of Atomic PhysicsMűegyetem rakpart 3.1111 BudapestHungary Laboratoire Charles Coulomb Universitéde Montpellier and CNRS34095 MontpellierFrance Tim Taylor Department of Chemical Engineering Kansas State UniversityManhattanKS 66506USA

The boron-vacancy spin defect(V_(B)^(-))in hexagonal boron nitride(hBN)has a great potential as a quantum sensor in a two-dimensional material that can directly probe various external perturbations in atomic-scale proximity to the quantum sensing ***,we apply first-principles calculations to determine the coupling of the VB electronic spin to strain and electric *** work unravels the interplay between local piezoelectric and elastic effects contributing to the final response to the electric *** theoretical predictions are then used to analyse optically detected magnetic resonance(ODMR)spectra recorded on hBN crystals containing different densities of V_(B)^(-) *** prove that the orthorhombic zero-field splitting parameter results from local electric fields produced by surrounding charge *** work paves the way towards applications of V_(B)^(-) centres for quantitative electric field imaging and quantum sensing under pressure.

关键词： defect quantum boron

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An L-band emitter with quantum memory in silicon

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npj Computational Materials 2022年第1期8卷 2498-2503页

作者： Péter Udvarhelyi Anton Pershin Péter Deák adam gali Wigner Research Centre for Physics P.O.Box 49H-1525BudapestHungary Budapest University of Technology and Economics Institute of PhysicsDepartment of Atomic PhysicsMűegyetem rakpart 3.1111BudapestHungary

Fluorescent centres in silicon have recently attracted great interest,owing to their remarkable properties for quantum ***,we demonstrate that the C-centre in silicon can realise an optically readable quantum register in the L-band wavelength region where the transmission losses in commercial optical fibres are *** in-depth theoretical characterisation confirms the assignment of the C-centre to the carbon-oxygen interstitial pair *** further explore its magneto-optical properties,such as hyperfine and spin-orbit coupling constants from first principles calculations,which are crucial for tight control of the quantum states of the triplet electron *** on this data,we set up quantum optics protocols to initialise and read out the quantum states of the electron spin,and realise a quantum memory by transferring quantum information from the electron spin to proximate ^(29)Si nuclear *** findings establish an optically readable long-living quantum memory in silicon where the scalability of qubits may be achieved by CMOS-compatible technology.

关键词： quantum centre optics

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Room-temperature coherent manipulation of single-spin qubits in silicon carbide with a high readout contrast

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National Science Review 2022年第5期9卷 89-98页

作者： Qiang Li Jun-Feng Wang Fei-Fei Yan Ji-Yang Zhou Han-Feng Wang He Liu Li-Ping Guo Xiong Zhou adam gali Zheng-Hao Liu Zu-Qing Wang Kai Sun Guo-Ping Guo Jian-Shun Tang Hao Li Li-Xing You Jin-Shi Xu Chuan-Feng Li Guang-Can Guo CAS Key Laboratory of Quantum Information University of Science and Technology of China CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of China Key Laboratory of Artificial Micro-and Nano-structures of Ministry of Education and School of Physics and Technology Wuhan University Department of Atomic Physics Budapest University of Technology and Economics Wigner Research Centre for Physics State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology Chinese Academy of Sciences(CAS)

Spin defects in silicon carbide(SiC) with mature wafer-scale fabrication and micro/nano-processing technologies have recently drawn considerable *** room-temperature single-spin manipulation of colour centres in SiC has been demonstrated,the typically detected contrast is less than 2%,and the photon count rate is also ***,we present the coherent manipulation of single divacancy spins in 4 H-SiC with a high readout contrast(-30%) and a high photon count rate(150 kilo counts per second)under ambient conditions,which are competitive with the nitrogen-vacancy centres in *** between a single defect spin and a nearby nuclear spin is also *** further provide a theoretical explanation for the high readout contrast by analysing the defect levels and decay *** the high readout contrast is of utmost importance in many applications of quantum technologies,this work might open a new territory for SiC-based quantum devices with many advanced properties of the host material.

关键词： silicon carbide single divacancy defects spin coherent control high readout contrast bright photon emission

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Genomic signatures of selection,local adaptation and production type characterisation of East Adriatic sheep breeds

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Journal of Animal Science and Biotechnology 2024年第2期15卷 546-562页

作者： Boris Lukic Ino Curik Ivana Drzaic Vlatko galić Mario Shihabi LubošVostry Vlatka Cubric-Curik Faculty of Agrobiotechnical Sciences Osijek J.JStrossmayer University of OsijekVladimira Preloga 131000 OsijekCroatia Department of Animal Science Faculty of AgricultureUniversity of ZagrebSvetošimunska Cesta 2510000 ZagrebCroatia Department of Maize Breeding and Genetics Agricultural Institute OsijekJužno predgrađe 1731000 OsijekCroatia Czech University of Life Sciences Prague Kamycka 12916500 PraqueCzech Republic

Background The importance of sheep breeding in the Mediterranean part of the eastern Adriatic has a long tradition since its arrival during the Neolithic *** production system is extensive and generally carried out in traditional systems without intensive systematic breeding programmes for high uniform trait production(carcass,wool and milk yield).Therefore,eight indigenous Croatian sheep breeds from eastern Adriatic treated here as metapopulation(EAS),are generally considered as multipurpose breeds(milk,meat and wool),not specialised for a particular type of production,but known for their robustness and resistance to certain environmental *** objective was to identify genomic regions and genes that exhibit patterns of positive selection signatures,decipher their biological and productive functionality,and provide a"genomic"characterization of EAS adaptation and determine its production *** We identified positive selection signatures in EAS using several methods based on reduced local variation,linkage disequilibrium and site frequency spectrum(eROHi,iHS,nSL and CLR).Our analyses identified numerous genomic regions and genes(e.g.,desmosomal cadherin and desmoglein gene families)associated with environmental adaptation and economically important *** candidate genes were related to meat/production and health/immune response traits,while some of the candidate genes discovered were important for domestication and evolutionary processes(e.g.,HOXa gene family and FSIP2).These results were also confirmed by GO and QTL enrichment *** Our results contribute to a better understanding of the unique adaptive genetic architecture of EAS and define its productive type,ultimately providing a new opportunity for future breeding *** the same time,the numerous genes identified will improve our understanding of ruminant(sheep)robustness and resistance in the harsh and specific Mediterranean environment.

关键词： Composite-likelihood ratio East Adriatic sheep Extreme ROH islands Genomic selection signatures Integrated haplotype score Number of segregating sites by length

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The (e_(g)■e_(u))■E_(g) product Jahn-Teller effect in the neutral group-Ⅳ vacancy quantum bits in diamond

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npj Computational Materials 2019年第1期 1002-1007页

作者： GergőThiering adam gali Wigner Research Centre for Physics Hungarian Academy of SciencesPO Box 49Budapest 1525Hungary Department of Atomic Physics Budapest University of Technology and EconomicsBudafokiút 8.Budapest 1111Hungary

The product Jahn-Teller effect may occur for such coupled electron-phonon systems in solids where single electrons occupy double degenerate *** propose that the excited state of the neutral XV split-vacancy complex in diamond,where X and V labels a group-Ⅳ impurity atom of X=Si,Ge,Sn,Pb and the vacancy,respectively,is such a system with e_(g) and e_(u) double degenerate orbitals and E_(g) quasi-localized *** develop and apply ab initio theory to quantify the strength of electron–phonon coupling for neutral XV complexes in diamond,and find a significant impact on the corresponding optical properties of these *** results show good agreement with recent experimental data on the prospective SiV(0)quantum bit,and reveals the complex nature of the excited states of neutral XV color centers in diamond.

关键词： neutral vacancy quantum

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试评教育史研究中的“时代局限”及其理解——以《大教学论》宗教因素等为例

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教育学报 2024年第3期20卷 182-193页

作者：陈锋何白嘎力华东师范大学教育学系上海200062

教育史研究中存在着不少被称之为“时代局限”的教育思想,《大教学论》中的宗教因素便是其中之一。19世纪以来历史哲学的发展表明,无法从“客观”概念出发回应“历史理解何以可能”的问题,历史的理解始终是解释者与被解释者互动的过程... 详细信息

教育史研究中存在着不少被称之为“时代局限”的教育思想,《大教学论》中的宗教因素便是其中之一。19世纪以来历史哲学的发展表明,无法从“客观”概念出发回应“历史理解何以可能”的问题,历史的理解始终是解释者与被解释者互动的过程。对于《大教学论》宗教因素等“时代局限”的理解而言,从历史情境筹划出发,通过有限度的同情与批判,达成与被理解思想之间的“视域融合”是一条可能的思路。理解“时代局限”不意味着消解问题、翻案文章,而是要求必须始终保持开放的研究视域。

关键词：教育史研究 “时代局限” 夸美纽斯《大教学论》

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基于一维空洞卷积神经网络的故障电弧检测方法

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清华大学学报（自然科学版） 2024年第3期64卷 492-501页

作者：蒋慧灵白嘎力周郑邓青滕杰张越周亮周正青北京科技大学金属冶炼重大事故防控技术支撑基地北京100083 北京科技大学大安全科学研究院北京100083 北京科技大学土木与资源工程学院北京100083 呼和浩特市烟草公司呼和浩特010020

串联故障电弧因多样性、相似性和隐蔽性而难以被检测,容易引发故障电弧保护装置误报和漏报。采用一维空洞卷积神经网络(one-dimensional dilated convolutional neural network,1D-DCNN)提取以高采样率采集的故障电弧电流特征,引入扩展... 详细信息

串联故障电弧因多样性、相似性和隐蔽性而难以被检测,容易引发故障电弧保护装置误报和漏报。采用一维空洞卷积神经网络(one-dimensional dilated convolutional neural network,1D-DCNN)提取以高采样率采集的故障电弧电流特征,引入扩展型指数线性单元(scaled exponential linear unit, SeLU)激活函数和残差连接解决梯度消失和网络退化问题,并结合平均集成学习和Softmax多分类器建立故障电弧检测模型。实验结果表明:所提方法对单负载和混合负载故障电弧的检测准确率达99.67%,相应负载识别准确率达99.95%,总体预测结果准确率达99.62%,优于传统卷积神经网络(convolutional neural network, CNN),满足故障电弧检测要求,有助于串联故障电弧检测和负载识别。

关键词：一维空洞卷积串联故障电弧支路故障电弧故障电弧检测负载分类

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