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We present the combined results of single crystal X-ray diffraction, physical properties characterization, and theoretical assessment of EuSnP under high pressure. Single crystals of EuSnP prepared using Sn self-flux crystallize in the tetragonal NbCrN-type crystal structure (S.G. P 4/ nmm ) at ambient pressure. Previous studies have shown that for Eu ions, seven unpaired electrons impart a 2+ oxidation state. Assuming the oxidation states of Eu to be +2 and P to be −3, each Sn will donate one electron, with one p valence electron left for forming a weak Sn–Sn bond. According to the high-pressure single crystal X-ray diffraction measurements, no structural phase transition was observed up to ∼6.2 GPa. Temperature-dependent resistivity measurements up to 2.15 GPa on single crystals indicate that the phase-transition temperature occurring at the Néel temperature ( T N ) is significantly enhanced under high pressure. The robust crystallography and enhanced antiferromagnetic transition temperatures can be rationalized by the electronic structure calculations and chemical bonding analysis. The increasing Eu–P bonding interaction is consistent with the lattice parameter changing and enhanced T N . Moreover, the molecular orbital diagram shows that the weak Sn–Sn bond can be squeezed under pressure, acting as a compression buffer to stabilize the structure.
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Pressure-induced crystal structural and insulator-metal transitions in the quantum spin liquid candidate CsYbSe2
CsYbSe2 has an ideal triangular-lattice geometry with pronounced two-dimensionality, pseudospin-1/2 nature, and the absence of structural disorder. These excellent characteristics favor a quantum spin-liquid realization in this material. In this work, we applied quasihydrostatic compression methods to explore the structural behaviors. Our study reveals that CsYbSe2 undergoes a structural transition around 24 GPa, accompanied by a large volume collapse of ΔV /V0∼13%. The ambient hexagonal structure with the space group P63/mmcis lowered to the tetragonal structure (P4/mmm) under high pressure. Meanwhile, the color of CsYbSe2 changes gradually from red to black before the transition. Dramatic pressure-induced changes are clarified by the electronic structure calculations from the first principles, which indicate that the initial insulating ground state turns metallic in a squeezed lattice. These findings highlight Yb-based dichalcogenide delafossites as an intriguing material to probe novel quantum effects under high pressure.
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- PAR ID:
- 10475164
- Publisher / Repository:
- American Physical Society
- Date Published:
- Journal Name:
- Physical Review B
- Volume:
- 108
- Issue:
- 17
- ISSN:
- 2469-9950
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1103/PhysRevB.108.174106
