| 1. |
- Kobayashi, Shintaro, et al.
(författare)
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Linear Trimer Formation with Antiferromagnetic Ordering in 1 T-CrSe2 Originating from Peierls-like Instabilities and Interlayer Se-Se Interactions
- 2019
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 58:21, s. 14304-14315
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Tidskriftsartikel (refereegranskat)abstract
- Anomalous successive structural transitions in layered 1T-CrSe 2 with an unusual Cr 4+ valency were investigated by synchrotron X-ray diffraction. 1T-CrSe 2 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-CrSe 2 has the unexpected ground state of an antiferromagnetic metal with multiple Cr linear trimers with three-center-two-electron σ bonds. Interestingly, partial substitution of Se for S atoms in 1T-CrSe 2 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.
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| 2. |
- Nocerino, E., et al.
(författare)
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Competition between magnetic interactions and structural instabilities leading to itinerant frustration in the triangular lattice antiferromagnet LiCrSe 2
- 2023
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Ingår i: Communications Materials. - 2662-4443. ; 4:1
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Tidskriftsartikel (refereegranskat)abstract
- LiCrSe2 constitutes a recent valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets. In this work, we present a comprehensive study of the low temperature nuclear and magnetic structure established in this material. Being subject to a strong magnetoelastic coupling, LiCrSe2 was found to undergo a first order structural transition from a trigonal crystal system (P3 ¯ m1) to a monoclinic one (C2/m) at T s = 30 K. Such restructuring of the lattice is accompanied by a magnetic transition at T N = 30 K. Refinement of the magnetic structure with neutron diffraction data and complementary muon spin rotation analysis reveal the presence of a complex incommensurate magnetic structure with a up-up-down-down arrangement of the chromium moments with ferromagnetic double chains coupled antiferromagnetically. The spin axial vector is also modulated both in direction and modulus, resulting in a spin density wave-like order with periodic suppression of the chromium moment along the chains. This behavior is believed to appear as a result of strong competition between direct exchange antiferromagnetic and superexchange ferromagnetic couplings established between both nearest neighbor and next nearest neighbor Cr3+ ions. We finally conjecture that the resulting magnetic order is stabilized via subtle vacancy/charge order within the lithium layers, potentially causing a mix of two co-existing magnetic phases within the sample.
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| 3. |
- Nocerino, Elisabetta, et al.
(författare)
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Competition between magnetic interactions and structural instabilities leading to itinerant frustration in the triangular lattice antiferromagnet LiCrSe2
- 2023
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Ingår i: Communications Materials. - : Springer Nature. - 2662-4443. ; 4:1
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Tidskriftsartikel (refereegranskat)abstract
- LiCrSe2 constitutes a recent valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets. In this work, we present a comprehensive study of the low temperature nuclear and magnetic structure established in this material. Being subject to a strong magnetoelastic coupling, LiCrSe2 was found to undergo a first order structural transition from a trigonal crystal system (P3 ¯ m1) to a monoclinic one (C2/m) at T s = 30 K. Such restructuring of the lattice is accompanied by a magnetic transition at T N = 30 K. Refinement of the magnetic structure with neutron diffraction data and complementary muon spin rotation analysis reveal the presence of a complex incommensurate magnetic structure with a up-up-down-down arrangement of the chromium moments with ferromagnetic double chains coupled antiferromagnetically. The spin axial vector is also modulated both in direction and modulus, resulting in a spin density wave-like order with periodic suppression of the chromium moment along the chains. This behavior is believed to appear as a result of strong competition between direct exchange antiferromagnetic and superexchange ferromagnetic couplings established between both nearest neighbor and next nearest neighbor Cr3+ ions. We finally conjecture that the resulting magnetic order is stabilized via subtle vacancy/charge order within the lithium layers, potentially causing a mix of two co-existing magnetic phases within the sample.
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| 4. |
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| 5. |
- Nocerino, Elisabetta, et al.
(författare)
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Nuclear and magnetic spin structure of the antiferromagnetic triangular lattice compound LiCrTe2 investigated by µ+SR, neutron and X-ray diffraction
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- Two−dimensional (2D) triangular lattices antiferromagnets (2D−TLA) often manifest intriguing physical and technological properties, due to the strong interplay between lattice geometry and electronic properties. The recently synthesized 2−dimensional transition metal dichalcogenide LiCrTe2, being a 2D−TLA, enriched the range of materials which can present such properties. In this work, muon spin rotation (μ+SR) and neutron powder diffraction (NPD) have been utilized to reveal the true magnetic nature and ground state of LiCrTe2. From high−resolution NPD the magnetic spin order at base−temperature is not, as previously suggested, helical, but rather collinear antiferromagnetic (AFM) with ferromagnetic (FM) spin coupling within the ab−plane and AFM coupling along the c−axis. The ordered magnetic Cr moment is established as μCr= 2.36 μB. From detailed μ+SR measurements we observe an AFM ordering temperature TN≈ 125 K. This value is remarkably higher than the one previously reported by magnetic bulk measurements. From μ+SR we are able to extract the magnetic order parameter, whose critical exponent allows us to categorize LiCrTe2 in the 3D Heisenberg AFM universality class. Finally, by combining our magnetic studies with high−resolution synchrotron X−ray diffraction (XRD), we find a clear coupling between the nuclear and magnetic spin lattices. This suggests the possibility for a strong magnon−phonon coupling, similar to what has been previously observed in the closely related compound LiCrO2.
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| 6. |
- Nocerino, Elisabetta, et al.
(författare)
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The Duel of Magnetic Interactions and Structural Instabilities: Itinerant Frustration in the Triangular Lattice Compound LiCrSe2
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- The recent synthesis of the chromium selenide compound LiCrSe2 constitutes a valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets (2D-TLA). In this work we present the very first comprehensive study of the combined low temperature nuclear and magnetic structure established in this material. Details on the connection between Li-ion dynamics and structural changes are also presented along with a direct link between atomic structure and spin order via a strong magnetoelastic coupling. LiCrSe2 was found to undergo a first order structural transition from a trigonal crystal system with space group P3¯m1 to a monoclinic one with space group C2/m at Ts=30~K. Such restructuring of the lattice is accompanied by a magnetic transition at TN=30~K, with the formation of a complex spin arrangement for the Cr3+ moments. Refinement of the magnetic structure with neutron diffraction data and complementary muon spin rotation analysis reveal the presence of two incommensurate magnetic domains with a up-up-down-down arrangement of the spins with ferromagnetic (FM) double chains coupled antiferromagnetically (AFM). In addition to this unusual arrangement, the spin axial vector is modulated both in direction and modulus, resulting in a spin density wave-like order with periodic suppression of the Cr moment along the chains. This behavior is believed to appear as a result of strong competition between direct exchange AFM and superexchange FM couplings established between both nearest neighbor and next nearest neighbor Cr3+ ions. We finally conjecture that the resulting magnetic order is stabilized via subtle vacancy/charge order within the Li layers, potentially causing a mix of two different magnetic phases within the sample.
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