Electronic topological transition in zinc under pressure: An x-ray absorption spectroscopy study

Aquilanti, Giuliana; Trapananti, A.; Minicucci, Marco; Liscio, Fabiola; Twaróg, A.; Principi, Emiliano; Pascarelli, S.

doi:10.1103/physrevb.76.144102

Cited by 12 publications

(5 citation statements)

References 33 publications

(31 reference statements)

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“…Interestingly, the fitting results reveal an abrupt increase for the σ 2 of the Bi–Se1 (Te1) and Bi–Se2 (Te2) bonds at 4.8 (2.5) GPa in concert with the above local structure distortion. In EXAFS, the Debye–Waller factor measures the width of the bond‐distance distribution g ( r ) around the photoabsorber, which takes into account both thermal and structural disorders linked to the local vibrational dynamics and to the local structural distortions, respectively . The thermal part usually would be suppressed by compression and could not lead to an abrupt change of the EXAFS Debye–Waller factor.…”

Section: Resultsmentioning

confidence: 99%

Bi‐centric view of the isostructural phase transitions in α‐Bi₂Se₃ and α‐Bi₂Te₃

Zhu

Dong

et al. 2017

Physica Status Solidi (b)

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Te 3 ) have been reported to exhibit a pressure-induced isostructural phase transition (IPT) in the low-pressure region (<5 GPa); however, the underlying mechanism is not fully understood yet. Here, we comparatively investigated the IPTs in a-Bi 2 Se 3 and a-Bi 2 Te 3 using high-pressure Bi L 3 -edge X-ray absorption fine structure spectroscopy, complemented with density functional theory (DFT) calculation. Near the IPT, the slope of the Bi L 3 -edge absorption energy shows a sudden decrease. In contrast to the monotonous shortening of the Bi-Bi bond-distance under compression, it is moreover rather surprising that the Bi-Se2 (Te2) and Bi-Se1 (Te1) bonddistances exhibit abnormal elongations around the IPT, which is synchronized with abrupt increases for their Debye-Waller factor. DFT calculation results show that near the IPT a structural distortion may appear for extremely small energy barrier. Those results indicate that each quintuple layer unit shrinks along the layer direction but elongates perpendicular to the layers at the onset of the IPT, which would be associated with a remarkable increase for the local structural disorder. Therefore, our findings suggest that the IPTs in a-Bi 2 Se 3 and a-Bi 2 Te 3 are coupled with a simultaneous charge redistribution and structural distortion accompanied with a static structural disorder increase.Sketch of the changes of local structure of centric Bi and lattice structure around the IPT.

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Section: Resultsmentioning

confidence: 99%

Bi‐centric view of the isostructural phase transitions in α‐Bi₂Se₃ and α‐Bi₂Te₃

Zhu

Dong

et al. 2017

Physica Status Solidi (b)

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“…Even for a simple metallic Zn foil, the conventional EXAFS tting underestimates the coordination numbers by up to 50%. 13,70,71 By our NN approach, in turn, the analysis of such disordered structures can be done easily. RDFs extracted by NN from the Cu K-edge and Zn K-edge EXAFS data (Fig.…”

Section: Discussionmentioning

confidence: 99%

Linking the evolution of catalytic properties and structural changes in copper–zinc nanocatalysts using operando EXAFS and neural-networks

et al. 2020

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“…This was triggered by a Mössbauer spectroscopy study which suggested that an electronic topological transition occurs in Zn at 6.6 GPa [25]. This work was followed by a series of studies using different techniques [19,[26][27][28][29][30][31][32][33][34]. All these studies were carried out at RT (or below it) and were focused on compressibility, the supposed anomaly of c/a, and the proposed electronic topological transition.…”

Section: Introductionmentioning

confidence: 99%

High-pressure/high-temperature phase diagram of zinc

Errandonea

MacLeod

Ruiz‐Fuertes

et al. 2018

J. Phys.: Condens. Matter

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The phase diagram of zinc (Zn) has been explored up to 140 GPa and 6000 K, by combining optical observations, x-ray diffraction, and ab initio calculations. In the pressure range covered by this study, Zn is found to retain a hexagonal close-packed (hcp) crystal symmetry up to the melting temperature. The known decrease of the axial ratio (c/a) of the hcp phase of Zn under compression is observed in x-ray diffraction experiments from 300 K up to the melting temperature. The pressure at which c/a reaches [Formula: see text] (≈10 GPa) is slightly affected by temperature. When this axial ratio is reached, we observed that single crystals of Zn, formed at high temperature, break into multiple poly-crystals. In addition, a noticeable change in the pressure dependence of c/a takes place at the same pressure. Both phenomena could be caused by an isomorphic second-order phase transition induced by pressure in Zn. The reported melt curve extends previous results from 24 to 135 GPa. The pressure dependence obtained for the melting temperature is accurately described up to 135 GPa by using a Simon-Glatzel equation: [Formula: see text], where P is the pressure in GPa. The determined melt curve agrees with previous low-pressure studies and with shock-wave experiments, with a melting temperature of 5060(30) K at 135 GPa. Finally, a thermal equation of state is reported, which at room-temperature agrees with the literature.

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Electronic topological transition in zinc under pressure: An x-ray absorption spectroscopy study

Cited by 12 publications

References 33 publications

Bi‐centric view of the isostructural phase transitions in α‐Bi₂Se₃ and α‐Bi₂Te₃

Bi‐centric view of the isostructural phase transitions in α‐Bi₂Se₃ and α‐Bi₂Te₃

Linking the evolution of catalytic properties and structural changes in copper–zinc nanocatalysts using operando EXAFS and neural-networks

High-pressure/high-temperature phase diagram of zinc

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Electronic topological transition in zinc under pressure: An x-ray absorption spectroscopy study

Cited by 12 publications

References 33 publications

Bi‐centric view of the isostructural phase transitions in α‐Bi2Se3 and α‐Bi2Te3

Bi‐centric view of the isostructural phase transitions in α‐Bi2Se3 and α‐Bi2Te3

Linking the evolution of catalytic properties and structural changes in copper–zinc nanocatalysts using operando EXAFS and neural-networks

High-pressure/high-temperature phase diagram of zinc

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Product

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Bi‐centric view of the isostructural phase transitions in α‐Bi₂Se₃ and α‐Bi₂Te₃

Bi‐centric view of the isostructural phase transitions in α‐Bi₂Se₃ and α‐Bi₂Te₃