Soft-phonon driven hexagonal-orthorhombic phase transition in 
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Girard, Adrien; Ilakovac, V.; Stękiel, Michał; Morgenroth, Wolfgang; Berger, H.; Tanaka, Yoshikazu; Hasegawa, Tetsuya; Bosak, Alexeï; Winkler, Bjoern

doi:10.1103/physrevb.99.144104

Cited by 6 publications

(11 citation statements)

References 36 publications

(31 reference statements)

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“…Our observations of systematic extra reflections shown in Fig. 2 contradict the generally accepted space group P6 3 /mmc for the hexagonal phase and Ccm2 1 for the orthorhombic phase, and, in this respect, confirm the observations reported earlier by Imani et al (2002) and Girard et al (2019). The clearly observed hhl reflections with l = 2n+1 are incompatible with the c-glide plane of the P6 3 /mmc space group, which was expected at T > T S = 240 K. Reflections of this type are also clearly visible in the 0kl section with l = 2n+1 in the 70-220 K temperature range, where the orthorhombic phase is expected.…”

Section: Single-crystal Synchrotron Xrd Experimentssupporting

confidence: 92%

“…Examples of atomic sites and the applied restrictions are available in the supporting information. The host-guest approach perfectly fits our diffraction experiments down to 150 K. It should be mentioned that the contribution of quasi-elastic scattering to the intensities of the extra reflections (Girard et al, 2019) cannot be excluded since their calculated intensities are systematically somewhat lower than those observed.…”

Section: Figuresupporting

confidence: 68%

“…No noticeable structural changes have been detected for the magnetic transitions at T N = 31 K (Fagot et al, 2005). Although the hexagonal and orthorhombic symmetries have commonly been described by the space groups P6 3 /mmc and Ccm2 1 , respectively, observations of a series of extra X-ray diffraction reflections violate both of them (Inami et al, 2002;Girard et al, 2019). Some doubts with regard to these space-group attributions also arose from neutron diffraction studies (Ghedira et al, 1981).…”

Section: Introductionmentioning

confidence: 99%

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One-dimensional composite host–guest structure in BaVS₃

Arakcheeva¹,

Pattison²,

Chapuis³

et al. 2021

Acta Crystallogr Sect B

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A detailed synchrotron X-ray diffraction (XRD) study performed with a single crystal of BaVS3 (barium vanadium trisulfide) in the temperature range between 10 and 295 K is reported. Aside from the known tetragonal–orthorhombic (240 K) and orthorhombic–monoclinic (69 K) phase transitions, in the 130 < T ≤ 295 K range the overall structure can be viewed as a host–guest (H–G) composite. The BaS3 matrix is the host, while the V-chains form the guest. The two subsystems lock in at T LOCK = 130 ± 20 K. This temperature is marked by a symmetry change from orthorhombic to monoclinic. This results in the formation of twins, implying a structural phase transition identified here for the first time. From the refined structural data, it is possible to follow, starting already at 295 K downwards, the stepwise transformation of VS6 octahedra into VS5 tetragonal pyramids as the origin of the structure evolution. The new findings will yield a better understanding of the complex electronic phase diagram of BaVS3.

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Section: Single-crystal Synchrotron Xrd Experimentssupporting

confidence: 92%

Section: Figuresupporting

confidence: 68%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

One-dimensional composite host–guest structure in BaVS₃

Arakcheeva¹,

Pattison²,

Chapuis³

et al. 2021

Acta Crystallogr Sect B

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“…6 of the ref. 39 . The comparison with the calculations using the hexagonal structure is not useful here.…”

Section: Momentum-space Temperature Evolutionmentioning

confidence: 99%

“…Recent combined Thermal Diffuse Scattering (TDS) and Inelastic X-ray Scattering (IXS) investigation of the BaVS 3 lattice dynamics across T S shows that the orthorhombic distortion is triggered by the softening of a Γ phonon 39 . In this work, we present an equivalent study of the metal-insulator Peierls transition.…”

Section: Introductionmentioning

confidence: 99%

Order-disorder type of Peierls instability in BaVS3

et al. 2021

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Lattice dynamics of low-dimensional BaVS3 is reported across the metal -insulator Peierls transition occurring at TP = 69 K using a combination of the thermal diffuse scattering TDS of x rays, inelastic x-ray scattering (IXS), and density functional theory calculations. The non detection of a Kohn anomaly points to a unique situation of an order-disorder Peierls instability with a quasielastic critical scattering which has been fully characterized. These observations are discussed in the scope of a Peierls instability dominated by strong electron-phonon coupling and/or non-adiabatic effects.

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Order-disorder charge density wave instability in the kagome metal (Cs,Rb)V3Sb5

Subires

Said

et al. 2023

Nat Commun

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The origin of the charge density wave phases in the kagome metal compound AV3Sb5 is still under great scrutiny. Here, we combine diffuse and inelastic x-ray scattering to identify a 3-dimensional precursor of the charge order at the L point that condenses into a CDW through a first order phase transition. The quasi-elastic critical scattering indicates that the dominant contribution to the diffuse precursor is the elastic central peak without phonon softening. However, the inelastic spectra show a small broadening of the Einstein-type phonon mode on approaching TCDW. Our results point to the situation where the Fermi surface instability at the L point is of order-disorder type with critical growth of quasi-static domains. The experimental data indicate that the CDW consists on an alternating Star of David and trihexagonal distortions and its dynamics goes beyond the classical weak-coupling scenario and is discussed within strong-electron phonon coupling and non-adiabatic models.

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Soft-phonon driven hexagonal-orthorhombic phase transition in BaVS3

Cited by 6 publications

References 36 publications

One-dimensional composite host–guest structure in BaVS₃

One-dimensional composite host–guest structure in BaVS₃

Order-disorder type of Peierls instability in BaVS3

Order-disorder charge density wave instability in the kagome metal (Cs,Rb)V3Sb5

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Soft-phonon driven hexagonal-orthorhombic phase transition in BaVS3

Cited by 6 publications

References 36 publications

One-dimensional composite host–guest structure in BaVS3

One-dimensional composite host–guest structure in BaVS3

Order-disorder type of Peierls instability in BaVS3

Order-disorder charge density wave instability in the kagome metal (Cs,Rb)V3Sb5

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Product

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One-dimensional composite host–guest structure in BaVS₃

One-dimensional composite host–guest structure in BaVS₃