DFT+mu: a step change in muon spectroscopy

DFT mu：μ子光谱的一步改变

• 批准号: EP/N024028/1
• 负责人: Tom Lancaster
• 金额: $ 50.16万
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2016
• 资助国家: 英国
• 起止时间: 2016 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FN024028%2F1
• 关键词: DFT+mu; step; change; muon; spectroscopy

Muon spectroscopy is a powerful experimental technique in condensed matter physics. It involves using the muon, a subatomic particle, as a microscopic magnetometer that we implant into matter, in order to probe the local environment. Use of the muon technique has led to a large number of key advances in our knowledge of quantum magnetism, unconventional superconductivity, semiconductor physics, charge transport and dynamical processes in solids. Despite its clear successes, questions about the validity of muon spectroscopy are still regularly raised, owing to our lack of knowledge of the site of the stopped muon in the solid and the influence that the charged muon probe has on its local environment. This is especially important in a number of high profile cases in which the muon measurements reveal effects that have not been observed with other techniques. In the last two years, we have shown that it is possible to accurately calculate the properties of muon stopping states using pioneering methods based on electronic structure calculations. Although our initial results are very promising, the techniques remain in their infancy and generally approximate the muon as a classical, rather than as a quantum mechanical, particle. We now propose to develop the methods, fostering a quantum mechanical approach, in order to address a range of important, current problems in condensed matter, including superconductivity, frustrated and low-dimensional magnetism and topological phases. Our results will not only dramatically improve a key experimental technique for studying advanced materials, but will directly contribute to research into new materials.

μ子谱是凝聚态物理中一种强有力的实验技术。它涉及到使用μ子，一种亚原子粒子，作为我们植入物质中的微观磁力计，以探测局部环境。μ介子技术的使用使我们在量子磁学、非常规超导、半导体物理、电荷输运和固体动力学过程等方面的知识取得了大量关键进展。尽管取得了明显的成功，但由于我们对固体中停止的μ子的位置以及带电μ子探针对其局部环境的影响缺乏了解，因此仍然经常提出关于μ子光谱学有效性的问题。这在许多高调的情况下尤其重要，在这些情况下，μ子测量揭示了用其他技术没有观察到的效应。在过去的两年中，我们已经证明，使用基于电子结构计算的开创性方法来精确计算μ子停止态的性质是可能的。虽然我们的初步结果是非常有希望的，技术仍然处于起步阶段，一般近似μ介子作为一个经典的，而不是作为一个量子力学，粒子。我们现在建议发展的方法，促进量子力学的方法，以解决一系列重要的，当前的问题，在凝聚态物质，包括超导性，挫折和低维磁性和拓扑相位。我们的研究结果不仅将大大提高研究先进材料的关键实验技术，而且将直接有助于研究新材料。

项目成果

The Internal Field in a Ferromagnetic Crystal with Chiral Molecular Packing of Achiral Organic Radicals

具有非手性有机自由基的手性分子堆积的铁磁晶体中的内部场

• DOI: 10.3390/magnetochemistry7050071
• 发表时间: 2021
• 期刊: Magnetochemistry
• 影响因子: 2.7
• 作者: Blundell S

Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System

氟-介子-氟纠缠系统中态粒子的射频操控

• DOI: 10.1103/physrevlett.129.077201
• 发表时间: 2022
• 期刊: Physical Review Letters
• 影响因子: 8.6
• 作者: Billington D

Origin of Magnetic Ordering in a Structurally-Perfect Quantum Kagome Antiferromagnet

结构完美的量子 Kagome 反铁磁体中磁序的起源

• DOI: 10.48550/arxiv.1912.09047
• 发表时间: 2019
• 作者: Arh T

Muon-Nitrogen Quadrupolar Level Crossing Resonance in a Charge Transfer Salt.

• DOI: 10.1021/acs.jpcc.2c00617
• 发表时间: 2022-05-05
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY C
• 影响因子: 3.7
• 作者: Berlie, Adam;Pratt, Francis L.;Huddart, Benjamin M.;Lancaster, Tom;Cottrell, Stephen P.
• 通讯作者: Cottrell, Stephen P.

Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets

• DOI: 10.1088/1367-2630/ab3dba
• 发表时间: 2019-09-12
• 期刊: NEW JOURNAL OF PHYSICS
• 影响因子: 3.3
• 作者: Blackmore, W. J. A.;Brambleby, J.;Goddard, P. A.
• 通讯作者: Goddard, P. A.