Magnetostriction-driven muon localisation in an antiferromagnetic oxide
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{
"updated": "2023-05-30T11:37:42.069330+00:00",
"created": "2023-05-29T18:06:21.305014+00:00",
"id": "1778",
"metadata": {
"owner": 80,
"mcid": "2023.82",
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"contributors": [
{
"givennames": "Pietro",
"affiliations": [
"Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Universit\u00e0 di Parma, Parco Area delle Scienze 7/A, I-43124 Parma, Italy"
],
"familyname": "Bonf\u00e0",
"email": "pietro.bonfa@unipr.it"
},
{
"givennames": "Ifeanyi John",
"affiliations": [
"Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Universit\u00e0 di Parma, Parco Area delle Scienze 7/A, I-43124 Parma, Italy"
],
"familyname": "Onuorah",
"email": "ifeanyi.onuorah@unipr.it"
},
{
"givennames": "Franz",
"affiliations": [
"ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX, United Kingdom"
],
"familyname": "Lang"
},
{
"givennames": "Iurii",
"affiliations": [
"Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland"
],
"familyname": "Timrov"
},
{
"givennames": "Lorenzo",
"affiliations": [
"Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland"
],
"familyname": "Monacelli"
},
{
"givennames": "Chennan",
"affiliations": [
"Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institute, CH-5232 Villigen, Switzerland"
],
"familyname": "Wang"
},
{
"givennames": "Xiao",
"affiliations": [
"J\u00fclich Centre for Neutron Science JCNS-2 and Peter Gr\u00fcnberg Institute\nPGI-4, JARA-FIT, Forschungszentrum J\u00fclich GmbH, 52425 J\u00fclich, Germany",
"Deutsches Elektronen-Synchrotron DESY, Photon Science, \n22607 Hamburg, Germany"
],
"familyname": "Sun"
},
{
"givennames": "Oleg",
"affiliations": [
"J\u00fclich Centre for Neutron Science JCNS-2 and Peter Gr\u00fcnberg Institute\nPGI-4, JARA-FIT, Forschungszentrum J\u00fclich GmbH, 52425 J\u00fclich, Germany"
],
"familyname": "Petracic"
},
{
"givennames": "Giovanni",
"affiliations": [
"Laboratory for Materials Simulations (LMS), Paul Scherrer Institut (PSI), CH-5232 Villigen PSI, Switzerland"
],
"familyname": "Pizzi"
},
{
"givennames": "Nicola",
"affiliations": [
"Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015 Lausanne, Switzerland",
"Laboratory for Materials Simulations (LMS), Paul Scherrer Institut (PSI), CH-5232 Villigen PSI, Switzerland"
],
"familyname": "Marzari"
},
{
"givennames": "Stephen John",
"affiliations": [
"Department of Physics, University of Oxford, Clarendon Laboratory, Oxford OX1 3PU, United Kingdom"
],
"familyname": "Blundell"
},
{
"givennames": "Roberto",
"affiliations": [
"Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Universit\u00e0 di Parma, Parco Area delle Scienze 7/A, I-43124 Parma, Italy"
],
"familyname": "De Renzi"
}
],
"status": "published",
"keywords": [
"Muon Spin Rotation, Relaxation and Resonance",
"DFT+U+V",
"Experimental",
"molecular dynamics simulation",
"MARVEL"
],
"id": "1778",
"version": 1,
"license_addendum": null,
"conceptrecid": "1777",
"title": "Magnetostriction-driven muon localisation in an antiferromagnetic oxide",
"doi": "10.24435/materialscloud:8s-qh",
"is_last": true,
"publication_date": "May 30, 2023, 13:37:42",
"_oai": {
"id": "oai:materialscloud.org:1778"
},
"license": "Creative Commons Attribution 4.0 International",
"edited_by": 576,
"description": "Magnetostriction drives a rhombohedral distortion in the cubic rock salt antiferromagnet MnO at the N\u00e8el temperature T<sub>N</sub>=118 K. As an unexpected consequence we show that this distortion acts to localize the site of an implanted muon due to the accompanying redistribution of electron density. This lifts the degeneracy between equivalent sites, resulting in a single observed muon precession frequency. Above T<sub>N</sub>, the muon instead becomes delocalized around a network of equivalent sites. Our first-principles simulations based on Hubbard-corrected density-functional theory and molecular dynamics are consistent with our experimental data and help to resolve a long-standing puzzle regarding muon data on MnO, as well as having wider applicability to other magnetic oxides.",
"references": [
{
"url": "https://arxiv.org/abs/2305.12237",
"doi": "10.48550/arXiv.2305.12237",
"comment": "Preprint where the data is discussed",
"type": "Preprint",
"citation": "P. Bonf\u00e0, I. J. Onuorah, F. Lang, I. Timrov, L. Monacelli, C. Wang, X. Sun, O. Petracic, G. Pizzi, N. Marzari, S. J. Blundell, R. De Renzi, arXiv:2305.12237"
}
]
},
"revision": 6
}