Direct observation of ultrafast amorphous-amorphous transitions indicated by bond stretching and angle bending in phase-change material GeTe

Fuente: arXiv
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Main Authors: Qi, Yingpeng, Chen, Nianke, Zhou, Zhihui, Xu, Qing, Lv, Yang, Zou, Xiao, Jiang, Tao, Zhu, Pengfei, Zhu, Min, Chen, Dongxue, Sun, Zhenrong, Li, Xianbin, Xiang, Dao
Format: Preprint
Published: 2026
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author Qi, Yingpeng
Chen, Nianke
Zhou, Zhihui
Xu, Qing
Lv, Yang
Zou, Xiao
Jiang, Tao
Zhu, Pengfei
Zhu, Min
Chen, Dongxue
Sun, Zhenrong
Li, Xianbin
Xiang, Dao
author_facet Qi, Yingpeng
Chen, Nianke
Zhou, Zhihui
Xu, Qing
Lv, Yang
Zou, Xiao
Jiang, Tao
Zhu, Pengfei
Zhu, Min
Chen, Dongxue
Sun, Zhenrong
Li, Xianbin
Xiang, Dao
contents The intrinsic nature of glass states and glass transitions at the atomic scale remain a fundamental open question in condensed-matter physics and materials science. By combining femtosecond electron diffraction with time-dependent density-functional theory molecular dynamics simulations, we directly observe ultrafast amorphous-amorphous transitions in amorphous GeTe, manifested as rapid Ge-Te (Ge) bond stretching within 0.2 ps and subsequent angle bending of the Ge-Te (Ge)-Ge motif on a 0.5-2 ps timescale. Critically, the ultrafast bond stretching is accompanied by localized oscillation modes with the frequency of 3.10 THz, unambiguously signaling the local Peierls-like bonding structure and the flexibility of these polarized bonds. These ultrafast collective atomic motions provide a direct structural origin for the boson peak and pay the way for systematic optimization of relaxation and crystallization kinetics.
format Preprint
id arxiv_https___arxiv_org_abs_2603_17400
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Direct observation of ultrafast amorphous-amorphous transitions indicated by bond stretching and angle bending in phase-change material GeTe
Qi, Yingpeng
Chen, Nianke
Zhou, Zhihui
Xu, Qing
Lv, Yang
Zou, Xiao
Jiang, Tao
Zhu, Pengfei
Zhu, Min
Chen, Dongxue
Sun, Zhenrong
Li, Xianbin
Xiang, Dao
Materials Science
The intrinsic nature of glass states and glass transitions at the atomic scale remain a fundamental open question in condensed-matter physics and materials science. By combining femtosecond electron diffraction with time-dependent density-functional theory molecular dynamics simulations, we directly observe ultrafast amorphous-amorphous transitions in amorphous GeTe, manifested as rapid Ge-Te (Ge) bond stretching within 0.2 ps and subsequent angle bending of the Ge-Te (Ge)-Ge motif on a 0.5-2 ps timescale. Critically, the ultrafast bond stretching is accompanied by localized oscillation modes with the frequency of 3.10 THz, unambiguously signaling the local Peierls-like bonding structure and the flexibility of these polarized bonds. These ultrafast collective atomic motions provide a direct structural origin for the boson peak and pay the way for systematic optimization of relaxation and crystallization kinetics.
title Direct observation of ultrafast amorphous-amorphous transitions indicated by bond stretching and angle bending in phase-change material GeTe
topic Materials Science
url https://arxiv.org/abs/2603.17400