Emergent charge order in pressurized kagome superconductor CsV3Sb5

Zheng, Lilin; Wu, Zhimian; Yang, Ye; Nie, L. P.; Shan, Mengtian; Sun, Kuanglv; Song, D. W.; Yu, Fangwei; Li, Jian; Zhao, Dan; Li, Shunjiao; Kang, Bei-Sheng; Zhou, Yu; Li, Kai; Xiang, Ziji; Ying, Jianjun; Wang, Z. F.; Wu, Tao; Chen, Xian Hui

doi:10.1038/s41586-022-05351-3

Cited by 85 publications

(44 citation statements)

References 61 publications

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“…Figure 2(e) shows the energy-vs-strain curves of selected low-energy states. It indicates that, for the compressive strains exceeding -3.4%, CsV 3 Sb 5 prefers the pristine phase, which is in line with the observation that pristine phase becomes ground state under hydrostatic pressure [26]. From -3.4% compressive strain to 0.7% tensile strain, the ISD state shown in Fig.…”

Section: (D) a Linear Combination Of The Soft Modes Atsupporting

confidence: 85%

“…Such mode has the V atoms move inward in one triangle and outward in the adjacent triangles, as depicted in Fig. 1(c Such dimerization with a phase shift along a axis strongly implies a new possible 4a 0 stripe order [13,16,20,26], which is different with former prediction [24,25]. Considering the multiplicity of above imaginary mode, a new 4×4×1 CDW state [Fig.…”

Section: (D) a Linear Combination Of The Soft Modes Atmentioning

confidence: 89%

“…These AV 3 Sb 5 compounds exhibit a CDW transition at T CO ≈ 78-102 K, corresponding to a 2×2×1 inverse star of David (ISD) pattern with D 6h point group [11,17]. At an intermediate temperature of T SO ≈ 50-60 K, a unidirectional 4a 0 or 5a 0 stripe order has been observed on Sb-terminated surface, which is still controversial in its structure with possible origins from surface instability or bulk rotational symmetry breaking [13,16,20,[24][25][26]. With a slightly lower temperature of T N ≈ 40 K, a nematic state occurs, which is associated with the π-phase shift of the 2×2×1 CDW between two adjacent kagome layers, reducing the rotation symmetry from C 6 to C 2 [20].…”

mentioning

confidence: 99%

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Nature of Charge Density Wave States in CsV$_3$Sb$_5$

Zhang¹,

Tan²,

Yan³

et al. 2023

Preprint

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Kagome metals AV3Sb5 (A = K, Rb, or Cs) exhibit intriguing charge density wave (CDW) instabilities, which interplay with superconductivity and band topology. However, despite firm observations, the nature of the CDW phases remains elusive. Here, by carrying out first-principles calculations and developing an effective Hamiltonian of CsV3Sb5, we unravel a series of CDW structures, including the established inverse star of David (ISD) phase and a series of newly discovered D 3h -n states under mild tensile strains. With the first-principles-based effective Hamiltonian, the emergence of the ISD and D 3h -n states is explained as a result of competition of interactions of the first-nearest neighbor V-V and V-Sb2 pairs versus the second-nearest neighbor V-V pairs. Moreover, a possible pattern is proposed for the mysterious experimental 4a0 phase. Band structures and scanning tunneling microscopy (STM) images are simulated to help distinguish between different CDW states. Our work thus deepens the understanding of the CDW formation in AV3Sb5 and our method should be applicable to other CDW materials.

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Section: (D) a Linear Combination Of The Soft Modes Atsupporting

confidence: 85%

Section: (D) a Linear Combination Of The Soft Modes Atmentioning

confidence: 89%

mentioning

confidence: 99%

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Nature of Charge Density Wave States in CsV$_3$Sb$_5$

Zhang¹,

Tan²,

Yan³

et al. 2023

Preprint

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“…However, the stacking of different layers reduces the symmetry of the system to C 2 . This way of lowering the rotational symmetry can be regarded as "weak" nematicity, as opposed to the "strong" one which is found at much lower temperatures than the CO, T nem ∼ 30K [25,34], where the system explicitly breaks the sixfold rotational symmetry of each kagome layer. Thus, for a twodimensional kagome lattice, the "weak" nematic regime would be characterized by A different perspective on this topic is provided by a recent optical polarization rotation measurement performed on CsV 3 Sb 5 , which shows the nematic CO to already be stable at the transition temperature for the translational symmetry breaking [28], questioning the interpretation above.…”

Section: Introductionmentioning

confidence: 99%

Theory of nematic charge orders in kagome metals

Grandi¹,

Consiglio²,

Sentef³

et al. 2023

Preprint

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Kagome metals AV3Sb5 (A =K, Rb, Cs) exhibit an exotic charge order (CO), involving three order parameters, with broken translation and time-reversal symmetries compatible with the presence of orbital currents. Despite the tremendous experimental and theoretical efforts that have been invested into the characterization of this phase, its properties are still intensely debated, and it is unclear if the origin of the CO is mainly due to electron-electron or electron-phonon interactions. One of the few indications that are confirmed by the majority of experimental studies is the nematicity of this state, a feature that might be enhanced by electronic correlations irrespective of the nature of the primary instability. However, it is still unclear whether the nematic CO becomes stable at a temperature equal to (Tnem = TC) or lower than (Tnem < TC) the one of the CO itself. Here, we systematically characterize several CO configurations, some proposed for the new member of the family ScV6Sn6, by combining phenomenological Ginzburg-Landau theories, valid irrespective of the specific ordering mechanism, with mean-field analysis. We find a few configurations for the CO that are in agreement with most of the experimental findings to date and that are described by different Ginzburg-Landau potentials. Moreover, we propose to use resonant ultrasound spectroscopy to experimentally characterize the properties of the order parameters of the CO, such as the number of their components and their relative amplitude, and provide an analysis of the corresponding elastic tensors. This might help understand which mean-field configuration found in our study is the most representative for describing the CO state of kagome metals, and it can provide information regarding the nematicity onset temperature Tnem with respect to TC.

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“…Manipulating the electronic phases or physical properties of quantum systems with external tunable parameters is a rather core theme in condensed matter physics. Conventional strategies for choosing external perturbations concern the electric/magnetic field, pressure, temperature, or chemical doping of the material system. − One of particular interest is the effect from ultrafast laser pulses on these materials, which opens up new opportunities to probe underlying correlations in the time domain and even to control material properties or quantum phases on a subpicosecond time scale. Furthermore, the time-resolved nature of ultrafast lasers allows the identification of dominant interactions and the valuable perspective on phase transitions with respect to ground-state properties and potential phases. − Comprehending the complicated physical behavior needs theoretical modeling to solve the interplay between different degrees of freedom that cannot be turned on and off experimentally, which also provides an ideal platform for decoding the vast body of information underneath the detected spectral signals.…”

mentioning

confidence: 99%

Optically Induced Multistage Phase Transition in Coherent Phonon-Dominated a-GeTe

Chen

Lin

Jiang

et al. 2023

J. Phys. Chem. Lett.

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Ultrafast photoexcitation can decouple the multilevel nonequilibrium dynamics of electron–lattice interactions, providing an ideal probe for dissecting photoinduced phase transition in solids. Here, real-time time-dependent density functional theory simulations combined with occupation-constrained DFT methods are employed to explore the nonadiabatic paths of optically excited a-GeTe. Results show that the short-wavelength ultrafast laser is capable of generating full-domain carrier excitation and repopulation, whereas the long-wavelength ultrafast laser favors the excitation of lone pair electrons in the antibonded state. Photodoping makes the double-valley potential energy surface shallower and allows the insertion of A1g coherent forces in the atomic pairs, by which the phase reversal of Ge and Te atoms in the ⟨001⟩ direction is activated with ultrafast suppression of the Peierls distortion. These findings have far-reaching implications regarding nonequilibrium phase engineering strategies based on phase-change materials.

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Emergent charge order in pressurized kagome superconductor CsV3Sb5

Cited by 85 publications

References 61 publications

Nature of Charge Density Wave States in CsV$_3$Sb$_5$

Nature of Charge Density Wave States in CsV$_3$Sb$_5$

Theory of nematic charge orders in kagome metals

Optically Induced Multistage Phase Transition in Coherent Phonon-Dominated a-GeTe

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