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BETA
Månsson, Martin, As. Prof.ORCID iD iconorcid.org/0000-0002-3086-9642
Alternative names
Publications (10 of 23) Show all publications
Hellsvik, J., Perez, R. D., Geilhufe, M., Månsson, M. & Balatsky, A. V. (2020). Spin wave excitations of magnetic metalorganic materials. PHYSICAL REVIEW MATERIALS, 4(2), Article ID 024409.
Open this publication in new window or tab >>Spin wave excitations of magnetic metalorganic materials
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2020 (English)In: PHYSICAL REVIEW MATERIALS, ISSN 2475-9953, Vol. 4, no 2, article id 024409Article in journal (Refereed) Published
Abstract [en]

The Organic Materials Database (OMDB) is an open database hosting about 22 000 electronic band structures, density of states, and other properties for stable and previously synthesized three-dimensional organic crystals. The web interface of the OMDB offers various search tools for the identification of novel functional materials such as band structure pattern matching and density of states similarity search. In this work, the OMDB is extended to include magnetic excitation properties. For inelastic neutron scattering, we focus on the dynamic structure factor S(q, omega) which contains information on the excitation modes of the material. We introduce a new dataset containing atomic magnetic moments and Heisenberg exchange parameters for which we calculate the spin wave spectra and dynamic structure factor with linear spin wave theory and atomistic spin dynamics. We thus develop the materials informatics tools to identify novel functional organic and metalorganic magnets.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC, 2020
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-270883 (URN)10.1103/PhysRevMaterials.4.024409 (DOI)000514191700003 ()
Note

QC 20200325

Available from: 2020-03-25 Created: 2020-03-25 Last updated: 2020-03-25Bibliographically approved
Umegaki, I., Higuchi, Y., Nozaki, H., Kondo, Y., Oka, H., Makimura, Y., . . . Sugiyama, J. (2019). Battery Materials Research with Muon Beam. In: Proceedings of the 3rd International Symposium of Quantum Beam Science at Ibaraki University "Quantum Beam Science in Biology and Soft Materials (ISQBSS2018): . Paper presented at the 3rd International Symposium of Quantum Beam Science at Ibaraki University "Quantum Beam Science in Biology and Soft Materials (ISQBSS2018)". Physical society of Japan, 25, Article ID 011009.
Open this publication in new window or tab >>Battery Materials Research with Muon Beam
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2019 (English)In: Proceedings of the 3rd International Symposium of Quantum Beam Science at Ibaraki University "Quantum Beam Science in Biology and Soft Materials (ISQBSS2018), Physical society of Japan, 2019, Vol. 25, article id 011009Conference paper, Published paper (Refereed)
Abstract [en]

We applied a positive muon spin rotation and relaxation (μ+SR) technique to battery materials research by investigating Li diffusion in cathode and electrolyte materials. Recently, we have found that Li diffusion in graphite, which is commonly used as an anode material in Li-ion batteries, is detectable with μ+SR. Following upon the initial μ+SR measurements on the Li intercalated graphites, C6Li and C12Li, μ+SR spectra were also measured for C12Li0.92 and C18Li0.90 posing a slightly different occupancy in the same stage structure as those of C6Li and C12Li. The temperature dependence of diffusive nature in C12Li0.92 and C18Li0.90 was found to be similar in nature to those in C6Li and C12Li. Such a diffusion was found to start to occur approximately by 50 K lower than those of C6Li and C12Li. This suggests that Li starts to diffuse at lower temperatures in the nonstoichiometric Li intercalated graphite samples than that in the stoichiometric samples.

Place, publisher, year, edition, pages
Physical society of Japan, 2019
Series
JPS Conference Proceedings ; 25
National Category
Condensed Matter Physics
Research subject
Physics, Material and Nano Physics
Identifiers
urn:nbn:se:kth:diva-267249 (URN)10.7566/JPSCP.25.011009 (DOI)
Conference
the 3rd International Symposium of Quantum Beam Science at Ibaraki University "Quantum Beam Science in Biology and Soft Materials (ISQBSS2018)"
Note

QC 20200205

Available from: 2020-02-05 Created: 2020-02-05 Last updated: 2020-02-05Bibliographically approved
Duan, Y.-X., Zhang, C., Rusz, J., Oppeneer, P. M., Durakiewicz, T., Sassa, Y., . . . Meng, J.-Q. (2019). Crystal electric field splitting and f-electron hybridization in heavy-fermion CePt2In7. Physical Review B, 100(8), Article ID 085141.
Open this publication in new window or tab >>Crystal electric field splitting and f-electron hybridization in heavy-fermion CePt2In7
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2019 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 100, no 8, article id 085141Article in journal (Refereed) Published
Abstract [en]

We use high-resolution angle-resolved photoemission spectroscopy to investigate the electronic structure of the antiferromagnetic heavy fermion compound CePt2In7, which is amember of the CeIn3-derived heavy fermion material family. Weak hybridization among 4f electron states and conduction bands was identified in CePt2In7 at low temperature much weaker than that in the other heavy fermion compounds like CeIrIn5 and CeRhIn5. The Ce 4f spectrum shows fine structures near the Fermi energy, reflecting the crystal electric field splitting of the 4f(5/2)(1) and 4f(7/2)(1) states. Also, we find that the Fermi surface has a strongly three-dimensional topology, in agreement with density-functional theory calculations.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC, 2019
National Category
Other Physics Topics
Identifiers
urn:nbn:se:kth:diva-259442 (URN)10.1103/PhysRevB.100.085141 (DOI)000482582200008 ()2-s2.0-85072558603 (Scopus ID)
Note

QC 20190923

Available from: 2019-09-23 Created: 2019-09-23 Last updated: 2020-03-09Bibliographically approved
Sugiyama, J., Umegaki, I., Matsumoto, M., Miwa, K., Nozaki, H., Higuchi, Y., . . . Brewer, J. H. (2019). Desorption reaction in MgH 2 studied with in situ μ + SR. Sustainable Energy and Fuels, 3(4), 956-964
Open this publication in new window or tab >>Desorption reaction in MgH 2 studied with in situ μ + SR
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2019 (English)In: Sustainable Energy and Fuels, ISSN 2398-4902, Vol. 3, no 4, p. 956-964Article in journal (Refereed) Published
Abstract [en]

In order to study the mechanism determining the desorption temperature (T d ) of hydrogen storage materials, we have measured positive muon spin rotation and relaxation (μ + SR) in MgH 2 over a wide temperature range including its T d . The pressure in the sample cell due to desorbed H 2 was measured in parallel with the μ + SR measurements under static conditions. Such in situ μ + SR measurements revealed that hydrogen starts to diffuse in MgH 2 well below T d . This indicates the important role of hydrogen diffusion in accelerating the desorption reaction by removing the reaction product, i.e. H 2 , from the reaction system.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2019
National Category
Other Chemical Engineering
Identifiers
urn:nbn:se:kth:diva-251906 (URN)10.1039/c8se00568k (DOI)000467219500019 ()2-s2.0-85063419615 (Scopus ID)
Note

QC 20190527

Available from: 2019-05-27 Created: 2019-05-27 Last updated: 2019-05-29Bibliographically approved
Kobayashi, S., Katayama, N., Manjo, T., Ueda, H., Michioka, C., Sugiyama, J., . . . Sawa, H. (2019). Linear Trimer Formation with Antiferromagnetic Ordering in 1T-CrSe2 Originating from Peierls-like Instabilities and Interlayer Se-Se Interactions. Inorganic Chemistry, 58(21), 14304-14315
Open this publication in new window or tab >>Linear Trimer Formation with Antiferromagnetic Ordering in 1T-CrSe2 Originating from Peierls-like Instabilities and Interlayer Se-Se Interactions
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2019 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 58, no 21, p. 14304-14315Article in journal (Refereed) Published
Abstract [en]

Anomalous successive structural transitions in layered 1T-CrSe2 with an unusual Cr4+ valency were investigated by synchrotron X-ray diffraction. 1T-CrSe2 exhibits dramatic structural changes in in-plane Cr-Cr and interlayer Se-Se distances, which originate from two interactions: (i) in-plane Cr-Cr interactions derived from Peierls-like trimerization instabilities on the orbitally assisted one-dimensional chains and (ii) interlayer Se-Se interactions through p-p hybridization. As a result, 1T-CrSe2 has the unexpected ground state of an antiferromagnetic metal with multiple Cr linear trimers with three-center-two-electron sigma bonds. Interestingly, partial substitution of Se for S atoms in 1T-CrSe2 changes the ground state from an antiferromagnetic metal to an insulator without long-range magnetic ordering, which is due to the weakening of interlayer interactions between anions. The unique low-temperature structures and electronic states of this system are determined by the competition and cooperation of in-plane Cr-Cr and interlayer Se-Se interactions.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2019
National Category
Physical Sciences
Identifiers
urn:nbn:se:kth:diva-264337 (URN)10.1021/acs.inorgchem.9b00186 (DOI)000494894400005 ()30964663 (PubMedID)2-s2.0-85064759165 (Scopus ID)
Note

QC 20191126. QC 20200109

Available from: 2019-11-26 Created: 2019-11-26 Last updated: 2020-01-09Bibliographically approved
Forslund, O. K., Andreica, D., Sassa, Y., Nozaki, H., Umegaki, I., Nocerino, E., . . . Månsson, M. (2019). Magnetic phase diagram of K 2 Cr 8 O 16 clarified by high-pressure muon spin spectroscopy. Scientific Reports, 9(1), Article ID 1141.
Open this publication in new window or tab >>Magnetic phase diagram of K 2 Cr 8 O 16 clarified by high-pressure muon spin spectroscopy
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2019 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 9, no 1, article id 1141Article in journal (Refereed) Published
Abstract [en]

The K 2 Cr 8 O 16 compound belongs to a series of quasi-1D compounds with intriguing magnetic properties that are stabilized through a high-pressure synthesis technique. In this study, a muon spin rotation, relaxation and resonance (μ + SR) technique is used to investigate the pressure dependent magnetic properties up to 25 kbar. μ + SR allows for measurements in true zero applied field and hereby access the true intrinsic material properties. As a result, a refined temperature/pressure phase diagram is presented revealing a novel low temperature/high pressure (p C1 = 21 kbar) transition from a ferromagnetic insulating to a high-pressure antiferromagnetic insulator. Finally, the current study also indicates the possible presence of a quantum critical point at p C2 ~ 33 kbar where the magnetic order in K 2 Cr 8 O 16 is expected to be fully suppressed even at T = 0 K.

Place, publisher, year, edition, pages
Nature Publishing Group, 2019
National Category
Other Engineering and Technologies
Identifiers
urn:nbn:se:kth:diva-246400 (URN)10.1038/s41598-018-37844-5 (DOI)000457616300030 ()30718649 (PubMedID)2-s2.0-85061061260 (Scopus ID)
Note

QC 20190401

Available from: 2019-04-01 Created: 2019-04-01 Last updated: 2019-04-01Bibliographically approved
Jana, S., Aich, P., Kumar, P. A., Forslund, O. K., Nocerino, E., Pomjakushin, V., . . . Ray, S. (2019). Revisiting Goodenough-Kanamori rules in a new series of double perovskites LaSr1-xCaxNiReO6. Scientific Reports, 9, Article ID 18296.
Open this publication in new window or tab >>Revisiting Goodenough-Kanamori rules in a new series of double perovskites LaSr1-xCaxNiReO6
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2019 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 9, article id 18296Article in journal (Refereed) Published
Abstract [en]

The magnetic ground states in highly ordered double perovskites LaSr1-xCaxNiReO6 (x = 0.0, 0.5, 1.0) are studied in view of the Goodenough-Kanamori rules of superexchange interactions in this paper. In LaSrNiReO6, Ni and Re sublattices are found to exhibit curious magnetic states separately, but no long range magnetic ordering is achieved. The magnetic transition at similar to 255 K is identified with the independent Re sublattice magnetic ordering. Interestingly, the sublattice interactions are tuned by modifying the Ni-O-Re bond angles through Ca doping. Upon Ca doping, the Ni and Re sublattices start to display a ferrimagnetically ordered state at low temperature. The neutron powder diffraction data reveals long range ferrimagnetic ordering of the Ni and Re magnetic sublattices along the crystallographic b-axis. The transition temperature of the ferrimagnetic phase increases monotonically with increasing Ca concentration.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP, 2019
National Category
Physical Sciences
Identifiers
urn:nbn:se:kth:diva-266272 (URN)10.1038/s41598-019-54427-0 (DOI)000501437300001 ()31797876 (PubMedID)2-s2.0-85076044540 (Scopus ID)
Note

QC 20200108

Available from: 2020-01-08 Created: 2020-01-08 Last updated: 2020-01-08Bibliographically approved
Benedek, P., Yazdani, N., Chen, H., Wenzler, N., Juranyi, F., Månsson, M., . . . Wood, V. C. (2019). Surface phonons of lithium ion battery active materials. SUSTAINABLE ENERGY & FUELS, 3(2), 508-513
Open this publication in new window or tab >>Surface phonons of lithium ion battery active materials
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2019 (English)In: SUSTAINABLE ENERGY & FUELS, ISSN 2398-4902, Vol. 3, no 2, p. 508-513Article in journal (Refereed) Published
Abstract [en]

Surfaces of active materials are understood to play an important role in the performance and lifetime of lithium-ion batteries, but they remain poorly characterized and therefore cannot yet be systematically designed. Here, we combine inelastic neutron scattering and ab initio simulations to demonstrate that the structure of the surface of active materials differs from the interior of the particle. We use LiFePO4 (LFP) as a model system, and we find that carbon coating influences the Li-O bonding on the (010) LFP surface relative to the bulk. Our results highlight how coatings can be used to systematically engineer the vibrations of atoms at the surface of battery active materials, and thereby impact lithium ion transport, charge transfer, and surface reactivity.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY, 2019
National Category
Other Chemistry Topics
Identifiers
urn:nbn:se:kth:diva-244533 (URN)10.1039/c8se00389k (DOI)000457548700015 ()2-s2.0-85060780741 (Scopus ID)
Note

QC 20190403

Available from: 2019-04-03 Created: 2019-04-03 Last updated: 2019-04-03Bibliographically approved
Faure, Q., Takayoshi, S., Simonet, V., Grenier, B., Månsson, M., White, J. S., . . . Petit, S. (2019). Tomonaga-Luttinger Liquid Spin Dynamics in the Quasi-One-Dimensional Ising-Like Antiferromagnet BaCo2V2O8. Physical Review Letters, 123(2), Article ID 027204.
Open this publication in new window or tab >>Tomonaga-Luttinger Liquid Spin Dynamics in the Quasi-One-Dimensional Ising-Like Antiferromagnet BaCo2V2O8
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2019 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 123, no 2, article id 027204Article in journal (Refereed) Published
Abstract [en]

Combining inelastic neutron scattering and numerical simulations, we study the quasi-one-dimensional Ising anisotropic quantum antiferromagnet BaCo2V2O8 in a longitudinal magnetic field. This material shows a quantum phase transition from a Neel ordered phase at zero field to a longitudinal incommensurate spin density wave at a critical magnetic field of 3.8 T. Concomitantly, the excitation gap almost closes and a fundamental reconfiguration of the spin dynamics occurs. These experimental results are well described by the universal Tomonaga-Luttinger liquid theory developed for interacting spinless fermions in one dimension. We especially observe the rise of mainly longitudinal excitations, a hallmark of the unconventional low-field regime in Ising-like quantum antiferromagnetic chains.

Place, publisher, year, edition, pages
American Physical Society, 2019
National Category
Physical Sciences
Identifiers
urn:nbn:se:kth:diva-255377 (URN)10.1103/PhysRevLett.123.027204 (DOI)000474895000020 ()31386519 (PubMedID)2-s2.0-85069922626 (Scopus ID)
Note

QC 20190731

Available from: 2019-07-31 Created: 2019-07-31 Last updated: 2020-03-09Bibliographically approved
Matt, C. E., Sutter, D., Cook, A. M., Sassa, Y., Månsson, M., Tjernberg, O., . . . Chang, J. (2018). Direct observation of orbital hybridisation in a cuprate superconductor. Nature Communications, 9, Article ID 972.
Open this publication in new window or tab >>Direct observation of orbital hybridisation in a cuprate superconductor
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2018 (English)In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 9, article id 972Article in journal (Refereed) Published
Abstract [en]

The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates) materials remains heavily debated. Effective low-energy single-band models of the copper-oxygen orbitals are widely used because there exists no strong experimental evidence supporting multi-band structures. Here, we report angle-resolved photoelectron spectroscopy experiments on La-based cuprates that provide direct observation of a two-band structure. This electronic structure, qualitatively consistent with density functional theory, is parametrised by a two-orbital (d(x2-y2) and d(z2)) tight-binding model. We quantify the orbital hybridisation which provides an explanation for the Fermi surface topology and the proximity of the van-Hove singularity to the Fermi level. Our analysis leads to a unification of electronic hopping parameters for single-layer cuprates and we conclude that hybridisation, restraining d-wave pairing, is an important optimisation element for superconductivity.

Place, publisher, year, edition, pages
Nature Publishing Group, 2018
National Category
Other Physics Topics
Identifiers
urn:nbn:se:kth:diva-224679 (URN)10.1038/s41467-018-03266-0 (DOI)000426660300004 ()29511188 (PubMedID)2-s2.0-85043230277 (Scopus ID)
Funder
Swedish Research Council, dnr.2016-06955Knut and Alice Wallenberg Foundation
Note

QC 20180326

Available from: 2018-03-26 Created: 2018-03-26 Last updated: 2018-03-26Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-3086-9642

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