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  1. Article ; Online: Magnetically propagating Hund's exciton in van der Waals antiferromagnet NiPS

    He, W / Shen, Y / Wohlfeld, K / Sears, J / Li, J / Pelliciari, J / Walicki, M / Johnston, S / Baldini, E / Bisogni, V / Mitrano, M / Dean, M P M

    Nature communications

    2024  Volume 15, Issue 1, Page(s) 3496

    Abstract: Magnetic van der Waals (vdW) materials have opened new frontiers for realizing novel many-body phenomena. Recently ... ...

    Abstract Magnetic van der Waals (vdW) materials have opened new frontiers for realizing novel many-body phenomena. Recently NiPS
    Language English
    Publishing date 2024-04-25
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-024-47852-x
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  2. Book ; Online: Long-range order in the XY model on the honeycomb lattice

    Wojtkiewicz, Jacek / Wohlfeld, Krzysztof / Oleś, Andrzej M.

    2022  

    Abstract: Using the reflection positivity method we provide the rigorous proof of the existence of long range magnetic order for the XY model on the honeycomb lattice for large spins $S\ge 2$. This stays in contrast with the result obtained using the {\it same} ... ...

    Abstract Using the reflection positivity method we provide the rigorous proof of the existence of long range magnetic order for the XY model on the honeycomb lattice for large spins $S\ge 2$. This stays in contrast with the result obtained using the {\it same} method but on the square lattice -- which gives a stable long-range order for spins $S\ge 1$. We suggest that the difference between these two cases stems from the enhanced quantum spin fluctuations on the honeycomb lattice. Using linear spin-wave theory we show that the enhanced fluctuations are due to the overall much higher kinetic energy of the spin waves on the honeycomb lattice (with Dirac points) than on the square lattice (with good nesting properties).

    Comment: 7 pages, 1 figure, accepted by Physical Review B
    Keywords Condensed Matter - Strongly Correlated Electrons ; Condensed Matter - Materials Science
    Publishing date 2022-11-23
    Publishing country us
    Document type Book ; Online
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  3. Article: Limited Ferromagnetic Interactions in Monolayers of MPS

    Autieri, Carmine / Cuono, Giuseppe / Noce, Canio / Rybak, Milosz / Kotur, Kamila M / Agrapidis, Cliò Efthimia / Wohlfeld, Krzysztof / Birowska, Magdalena

    The journal of physical chemistry. C, Nanomaterials and interfaces

    2022  Volume 126, Issue 15, Page(s) 6791–6802

    Abstract: We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts ( ... ...

    Abstract We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS
    Language English
    Publishing date 2022-04-12
    Publishing country United States
    Document type Journal Article
    ISSN 1932-7447
    ISSN 1932-7447
    DOI 10.1021/acs.jpcc.2c00646
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Collective Nature of Orbital Excitations in Layered Cuprates in the Absence of Apical Oxygens.

    Martinelli, Leonardo / Wohlfeld, Krzysztof / Pelliciari, Jonathan / Arpaia, Riccardo / Brookes, Nicholas B / Di Castro, Daniele / Fernandez, Mirian G / Kang, Mingu / Krockenberger, Yoshiharu / Kummer, Kurt / McNally, Daniel E / Paris, Eugenio / Schmitt, Thorsten / Yamamoto, Hideki / Walters, Andrew / Zhou, Ke-Jin / Braicovich, Lucio / Comin, Riccardo / Sala, Marco Moretti /
    Devereaux, Thomas P / Daghofer, Maria / Ghiringhelli, Giacomo

    Physical review letters

    2024  Volume 132, Issue 6, Page(s) 66004

    Abstract: We have investigated the 3d orbital excitations in CaCuO_{2} (CCO), Nd_{2}CuO_{4} (NCO), and La_{2}CuO_{4} (LCO) using high-resolution resonant inelastic x-ray scattering. In LCO they behave as well-localized excitations, similarly to several other ... ...

    Abstract We have investigated the 3d orbital excitations in CaCuO_{2} (CCO), Nd_{2}CuO_{4} (NCO), and La_{2}CuO_{4} (LCO) using high-resolution resonant inelastic x-ray scattering. In LCO they behave as well-localized excitations, similarly to several other cuprates. On the contrary, in CCO and NCO the d_{xy} orbital clearly disperses, pointing to a collective character of this excitation (orbiton) in compounds without apical oxygen. We ascribe the origin of the dispersion as stemming from a substantial next-nearest-neighbor (NNN) orbital superexchange. Such an exchange leads to the liberation of the orbiton from its coupling to magnons, which is associated with the orbiton hopping between nearest neighbor copper sites. Finally, we show that the exceptionally large NNN orbital superexchange can be traced back to the absence of apical oxygens suppressing the charge transfer energy.
    Language English
    Publishing date 2024-02-23
    Publishing country United States
    Document type Journal Article
    ZDB-ID 208853-8
    ISSN 1079-7114 ; 0031-9007
    ISSN (online) 1079-7114
    ISSN 0031-9007
    DOI 10.1103/PhysRevLett.132.066004
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  5. Book ; Online: Topology of chalcogen chains

    Kłosiński, Adam / Brzezicki, Wojciech / Lau, Alexander / Agrapidis, Cliò E. / Oleś, Andrzej M. / van Wezel, Jasper / Wohlfeld, Krzysztof

    2022  

    Abstract: We investigate the topological properties of the helical atomic chains occurring in elemental selenium and tellurium. We postulate a realistic model that includes spin-orbit interaction and show this to be topologically non-trivial, with a topological ... ...

    Abstract We investigate the topological properties of the helical atomic chains occurring in elemental selenium and tellurium. We postulate a realistic model that includes spin-orbit interaction and show this to be topologically non-trivial, with a topological invariant protected by a crystalline symmetry. We describe the end-states, which are orbitally polarized, with an orbital density modulation strongly peaked at the edge. Furthermore, we propose a simplified model that decomposes into three orbital chains, allowing us to define a topological invariant protected by a crystalline symmetry. We contrast this result with recent observations made for the orbital Su-Schrieffer-Heeger model containing a $p$-orbital zigzag chain.

    Comment: 10 figures
    Keywords Condensed Matter - Materials Science ; Condensed Matter - Mesoscale and Nanoscale Physics ; Condensed Matter - Strongly Correlated Electrons
    Publishing date 2022-12-08
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Book ; Online: Limited ferromagnetic interactions in monolayers of MPS$_3$ (M=Mn, Ni)

    Autieri, Carmine / Cuono, Giuseppe / Noce, Canio / Rybak, Milosz / Kotur, Kamila M. / Agrapidis, Cliò Efthimia / Wohlfeld, Krzysztof / Birowska, Magdalena

    2021  

    Abstract: We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS$_3$ and NiPS$_3$) of transition metal phosphorus trichalcogenides doped with $3d$ elements. For both ... ...

    Abstract We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS$_3$ and NiPS$_3$) of transition metal phosphorus trichalcogenides doped with $3d$ elements. For both hosts our DFT+U calculations are able to qualitatively reproduce the ratios and signs of all experimentally observed magnetic couplings. The relative strength of all antiferromagnetic exchange couplings, both in MnPS$_3$ as well as in NiPS$_3$, can successfully be explained using an effective direct exchange model: they reveal that the third-neighbor exchange dominates in NiPS$_3$ due to the filling of the $t_{2g}$ subshell, whereas for MnPS$_3$ the first neighbor exchange is prevailed owing to the presence of the $t_{2g}$ magnetism. On the other hand, the nearest neighbor ferromagnetic coupling in NiPS$_3$ can only be explained using a more complex superexchange model and is (also) largely triggered by the absence of the $t_{2g}$ magnetism. For the doped systems, the DFT+U calculations revealed that magnetic impurities do not affect the magnetic ordering observed in the pure phases and thus in general in these systems ferromagnetism may not be easily induced by such a kind of elemental doping. However, unlike for the hosts, the first and second (dopant-host) exchange couplings are of similar order of magnitude. This leads to frustration in case of antiferromagnetic coupling and may be one of the reasons of the observed lower magnetic ordering temperature of the doped systems.

    Comment: 15 pages, 8 figures, 3 tables
    Keywords Condensed Matter - Materials Science ; Condensed Matter - Strongly Correlated Electrons
    Subject code 530
    Publishing date 2021-11-29
    Publishing country us
    Document type Book ; Online
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  7. Article ; Online: Unraveling the Orbital Physics in a Canonical Orbital System KCuF_{3}.

    Li, Jiemin / Xu, Lei / Garcia-Fernandez, Mirian / Nag, Abhishek / Robarts, H C / Walters, A C / Liu, X / Zhou, Jianshi / Wohlfeld, Krzysztof / van den Brink, Jeroen / Ding, Hong / Zhou, Ke-Jin

    Physical review letters

    2021  Volume 126, Issue 10, Page(s) 106401

    Abstract: We explore the existence of the collective orbital excitations, orbitons, in the canonical orbital system KCuF_{3} using the Cu L_{3}-edge resonant inelastic x-ray scattering. We show that the nondispersive high-energy peaks result from the Cu^{2+}  dd ... ...

    Abstract We explore the existence of the collective orbital excitations, orbitons, in the canonical orbital system KCuF_{3} using the Cu L_{3}-edge resonant inelastic x-ray scattering. We show that the nondispersive high-energy peaks result from the Cu^{2+}  dd orbital excitations. These high-energy modes display good agreement with the ab initio quantum chemistry calculation, indicating that the dd excitations are highly localized. At the same time, the low-energy excitations present clear dispersion. They match extremely well with the two-spinon continuum following the comparison with Müller ansatz calculations. The localized dd excitations and the observation of the strongly dispersive magnetic excitations suggest that the orbiton dispersion is below the resolution detection limit. Our results can reconcile with the strong local Jahn-Teller effect in KCuF_{3}, which predominantly drives orbital ordering.
    Language English
    Publishing date 2021-03-30
    Publishing country United States
    Document type Journal Article
    ZDB-ID 208853-8
    ISSN 1079-7114 ; 0031-9007
    ISSN (online) 1079-7114
    ISSN 0031-9007
    DOI 10.1103/PhysRevLett.126.106401
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  8. Article ; Online: Correlation induced electron-hole asymmetry in quasi- two-dimensional iridates.

    Pärschke, Ekaterina M / Wohlfeld, Krzysztof / Foyevtsova, Kateryna / van den Brink, Jeroen

    Nature communications

    2017  Volume 8, Issue 1, Page(s) 686

    Abstract: The resemblance of crystallographic and magnetic structures of the quasi-two-dimensional iridates ... ...

    Abstract The resemblance of crystallographic and magnetic structures of the quasi-two-dimensional iridates Ba
    Language English
    Publishing date 2017-09-25
    Publishing country England
    Document type Journal Article
    ISSN 2041-1723
    ISSN (online) 2041-1723
    DOI 10.1038/s41467-017-00818-8
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  9. Article ; Online: Unraveling orbital correlations with magnetic resonant inelastic x-ray scattering.

    Marra, Pasquale / Wohlfeld, Krzysztof / van den Brink, Jeroen

    Physical review letters

    2012  Volume 109, Issue 11, Page(s) 117401

    Abstract: Although orbital degrees of freedom are a factor of fundamental importance in strongly correlated transition-metal compounds, orbital correlations and dynamics remain very difficult to access, in particular by neutron scattering. Via a direct calculation ...

    Abstract Although orbital degrees of freedom are a factor of fundamental importance in strongly correlated transition-metal compounds, orbital correlations and dynamics remain very difficult to access, in particular by neutron scattering. Via a direct calculation of scattering amplitudes we show that instead magnetic resonant inelastic x-ray scattering (RIXS) does reveal orbital correlations. In contrast to neutron scattering, the intensity of the magnetic excitations in RIXS depends very sensitively on the symmetry of the orbitals that spins occupy and on photon polarizations. We show in detail how this effect allows magnetic RIXS to distinguish between alternating orbital-ordered and ferro-orbital (or orbital liquid) states.
    Language English
    Publishing date 2012-09-14
    Publishing country United States
    Document type Journal Article
    ZDB-ID 208853-8
    ISSN 1079-7114 ; 0031-9007
    ISSN (online) 1079-7114
    ISSN 0031-9007
    DOI 10.1103/PhysRevLett.109.117401
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  10. Article ; Online: Jahn-Teller Effect in Systems with Strong On-Site Spin-Orbit Coupling.

    Plotnikova, Ekaterina M / Daghofer, Maria / van den Brink, Jeroen / Wohlfeld, Krzysztof

    Physical review letters

    2016  Volume 116, Issue 10, Page(s) 106401

    Abstract: When strong spin-orbit coupling removes orbital degeneracy, it would at the same time appear to render the Jahn-Teller mechanism ineffective. We discuss such a situation, the t_{2g} manifold of iridates, and show that, while the Jahn-Teller effect does ... ...

    Abstract When strong spin-orbit coupling removes orbital degeneracy, it would at the same time appear to render the Jahn-Teller mechanism ineffective. We discuss such a situation, the t_{2g} manifold of iridates, and show that, while the Jahn-Teller effect does indeed not affect the j_{eff}=1/2 antiferromagnetically ordered ground state, it leads to distinctive signatures in the j_{eff}=3/2 spin-orbit exciton. It allows for a hopping of the spin-orbit exciton between the nearest-neighbor sites without producing defects in the j_{eff}=1/2 antiferromagnet. This arises because the lattice-driven Jahn-Teller mechanism only couples to the orbital degree of freedom but is not sensitive to the phase of the wave function that defines isospin j_{z}. This contrasts sharply with purely electronic propagation, which conserves isospin, and the presence of Jahn-Teller coupling can explain some of the peculiar features of measured resonant inelastic x-ray scattering spectra of Sr_{2}IrO_{4}.
    Language English
    Publishing date 2016-03-11
    Publishing country United States
    Document type Journal Article
    ZDB-ID 208853-8
    ISSN 1079-7114 ; 0031-9007
    ISSN (online) 1079-7114
    ISSN 0031-9007
    DOI 10.1103/PhysRevLett.116.106401
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