Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe

Tomoki Fujita; Yuhan Chen; Yoshio Kono; Seiya Takahashi; Hidetaka Kasai; Davide Campi; Marco Bernasconi; Koji Ohara; Hirokatsu Yumoto; Takahisa Koyama; Hiroshi Yamazaki; Yasunori Senba; Haruhiko Ohashi; Ichiro Inoue; Yujiro Hayashi; Makina Yabashi; Eiji Nishibori; Riccardo  Mazzarello; Shuai Wei

doi:10.1038/s41467-023-43457-y

Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe

Tomoki Fujita, Yuhan Chen, Yoshio Kono, Seiya Takahashi, Hidetaka Kasai, Davide Campi, Marco Bernasconi, Koji Ohara, Hirokatsu Yumoto, Takahisa Koyama, Hiroshi Yamazaki, Yasunori Senba, Haruhiko Ohashi, Ichiro Inoue, Yujiro Hayashi, Makina Yabashi, Eiji Nishibori, Riccardo Mazzarello^*, Shuai Wei^*

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

5 Citations (Scopus)

Abstract

While polymorphism is prevalent in crystalline solids, polyamorphism draws increasing interest in various types of amorphous solids. Recent studies suggested that supercooling of liquid phase-change materials (PCMs) induces Peierls-like distortions in their local structures, underlying their liquid-liquid transitions before vitrification. However, the mechanism of how the vitrified phases undergo a possible polyamorphic transition remains elusive. Here, using high-energy synchrotron X-rays, we can access the precise pair distribution functions under high pressure and provide clear evidence that pressure can reverse the Peierls-like distortions, eliciting a polyamorphic transition in GeTe and GeSe. Combined with simulations based on machine-learned-neural-network potential, our structural analysis reveals a high-pressure state characterized by diminished Peierls-like distortion, greater coherence length, reduced compressibility, and a narrowing bandgap. Our finding underscores the crucial role of Peierls-like distortions in amorphous octahedral systems including PCMs. These distortions can be controlled through pressure and composition, offering potentials for designing properties in PCM-based devices.

Original language	English
Article number	7851
Journal	Nature Communications
Volume	14
Issue	1
Number of pages	10
ISSN	2041-1723
DOIs	https://doi.org/10.1038/s41467-023-43457-y
Publication status	Published - 7 Dec 2023

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Fujita, T., Chen, Y., Kono, Y., Takahashi, S., Kasai, H., Campi, D., Bernasconi, M., Ohara, K., Yumoto, H., Koyama, T., Yamazaki, H., Senba, Y., Ohashi, H., Inoue, I., Hayashi, Y., Yabashi, M., Nishibori, E., Mazzarello, R., & Wei, S. (2023). Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe. Nature Communications, 14(1), Article 7851. https://doi.org/10.1038/s41467-023-43457-y

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title = "Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe",

abstract = "While polymorphism is prevalent in crystalline solids, polyamorphism draws increasing interest in various types of amorphous solids. Recent studies suggested that supercooling of liquid phase-change materials (PCMs) induces Peierls-like distortions in their local structures, underlying their liquid-liquid transitions before vitrification. However, the mechanism of how the vitrified phases undergo a possible polyamorphic transition remains elusive. Here, using high-energy synchrotron X-rays, we can access the precise pair distribution functions under high pressure and provide clear evidence that pressure can reverse the Peierls-like distortions, eliciting a polyamorphic transition in GeTe and GeSe. Combined with simulations based on machine-learned-neural-network potential, our structural analysis reveals a high-pressure state characterized by diminished Peierls-like distortion, greater coherence length, reduced compressibility, and a narrowing bandgap. Our finding underscores the crucial role of Peierls-like distortions in amorphous octahedral systems including PCMs. These distortions can be controlled through pressure and composition, offering potentials for designing properties in PCM-based devices.",

author = "Tomoki Fujita and Yuhan Chen and Yoshio Kono and Seiya Takahashi and Hidetaka Kasai and Davide Campi and Marco Bernasconi and Koji Ohara and Hirokatsu Yumoto and Takahisa Koyama and Hiroshi Yamazaki and Yasunori Senba and Haruhiko Ohashi and Ichiro Inoue and Yujiro Hayashi and Makina Yabashi and Eiji Nishibori and Riccardo Mazzarello and Shuai Wei",

year = "2023",

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day = "7",

doi = "10.1038/s41467-023-43457-y",

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Fujita, T, Chen, Y, Kono, Y, Takahashi, S, Kasai, H, Campi, D, Bernasconi, M, Ohara, K, Yumoto, H, Koyama, T, Yamazaki, H, Senba, Y, Ohashi, H, Inoue, I, Hayashi, Y, Yabashi, M, Nishibori, E, Mazzarello, R & Wei, S 2023, 'Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe', Nature Communications, vol. 14, no. 1, 7851. https://doi.org/10.1038/s41467-023-43457-y

TY - JOUR

T1 - Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe

AU - Fujita, Tomoki

AU - Chen, Yuhan

AU - Kono, Yoshio

AU - Takahashi, Seiya

AU - Kasai, Hidetaka

AU - Campi, Davide

AU - Bernasconi, Marco

AU - Ohara, Koji

AU - Yumoto, Hirokatsu

AU - Koyama, Takahisa

AU - Yamazaki, Hiroshi

AU - Senba, Yasunori

AU - Ohashi, Haruhiko

AU - Inoue, Ichiro

AU - Hayashi, Yujiro

AU - Yabashi, Makina

AU - Nishibori, Eiji

AU - Mazzarello, Riccardo

AU - Wei, Shuai

PY - 2023/12/7

Y1 - 2023/12/7

N2 - While polymorphism is prevalent in crystalline solids, polyamorphism draws increasing interest in various types of amorphous solids. Recent studies suggested that supercooling of liquid phase-change materials (PCMs) induces Peierls-like distortions in their local structures, underlying their liquid-liquid transitions before vitrification. However, the mechanism of how the vitrified phases undergo a possible polyamorphic transition remains elusive. Here, using high-energy synchrotron X-rays, we can access the precise pair distribution functions under high pressure and provide clear evidence that pressure can reverse the Peierls-like distortions, eliciting a polyamorphic transition in GeTe and GeSe. Combined with simulations based on machine-learned-neural-network potential, our structural analysis reveals a high-pressure state characterized by diminished Peierls-like distortion, greater coherence length, reduced compressibility, and a narrowing bandgap. Our finding underscores the crucial role of Peierls-like distortions in amorphous octahedral systems including PCMs. These distortions can be controlled through pressure and composition, offering potentials for designing properties in PCM-based devices.

AB - While polymorphism is prevalent in crystalline solids, polyamorphism draws increasing interest in various types of amorphous solids. Recent studies suggested that supercooling of liquid phase-change materials (PCMs) induces Peierls-like distortions in their local structures, underlying their liquid-liquid transitions before vitrification. However, the mechanism of how the vitrified phases undergo a possible polyamorphic transition remains elusive. Here, using high-energy synchrotron X-rays, we can access the precise pair distribution functions under high pressure and provide clear evidence that pressure can reverse the Peierls-like distortions, eliciting a polyamorphic transition in GeTe and GeSe. Combined with simulations based on machine-learned-neural-network potential, our structural analysis reveals a high-pressure state characterized by diminished Peierls-like distortion, greater coherence length, reduced compressibility, and a narrowing bandgap. Our finding underscores the crucial role of Peierls-like distortions in amorphous octahedral systems including PCMs. These distortions can be controlled through pressure and composition, offering potentials for designing properties in PCM-based devices.

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U2 - 10.1038/s41467-023-43457-y

DO - 10.1038/s41467-023-43457-y

M3 - Journal article

C2 - 38062025

SN - 2041-1723

VL - 14

JO - Nature Communications

JF - Nature Communications

IS - 1

M1 - 7851

ER -

Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe

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