Pressure-induced structural change in liquid GeTe and liquid GeSe

Tomomasa, Masatoshi; Higaki, Takuya; Hayakawa, Takazumi; Chiba, Ayano; Tsuji, Kazuhiko

doi:10.1088/1742-6596/121/2/022007

Cited by 5 publications

(9 citation statements)

References 16 publications

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“…Black solid lines and red circles correspond to our calculated and the experimental results, respectively. The red characters indicate the pressure in the experiment . The inset shows the zooming up around FSDP between 0 and 20 GPa.…”

Section: Resultsmentioning

confidence: 96%

“…The pressure‐induced structural change of liquid GeSe has also been studied so far . The X‐ray diffraction measurement under pressure up to 15 GPa has shown that the pressure dependence of the structural parameters, such as peak positions of radial distribution functions, changes qualitatively at ≈6 GPa.…”

Section: Introductionmentioning

confidence: 99%

“…The pressure-induced structural change of liquid GeSe has also been studied so far. [13] The X-ray diffraction measurement under pressure up to 15 GPa has shown that the pressure dependence of the structural parameters, such as peak positions of radial distribution functions, changes qualitatively at %6 GPa. It is also suggested that the coordination number in liquid GeSe increases from about 3 at 0.7 GPa to about 4 at 15 GPa with increasing pressure, which is different from the coordination number of about 6 in the crystalline state under this pressure range.…”

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confidence: 99%

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Static Structure of Liquid GeSe Under Pressure: Ab Initio Molecular Dynamics Simulations

Koura

Shimojo

2018

Physica Status Solidi (b)

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The authors have investigated the pressure dependence of the static structure of liquid GeSe based on ab initio molecular dynamics simulations. In a pressure range of about 240 GPa, there are four stages of compression process. In the first stage up to about 8 GPa, the Peierls‐type distortion, seen in the crystalline phase, is retained in the liquid phase. This Peierls‐type distortion completely dissolves during the second stage between 8 and 12 GPa. At this stage, a semiconductor–metal (SCM) transition also occurs. While the distance between Ge–Se atoms is almost unchanged in the first and second stages, it shortens with increasing pressure under further compression. The coordination number around Ge atoms is larger than that around Se atoms in the third stage up to about 40 GPa. Both the coordination numbers become the same in the fourth stage under higher pressure, where a denser liquid phase appears with the coordination number larger than eight.

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Section: Resultsmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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Static Structure of Liquid GeSe Under Pressure: Ab Initio Molecular Dynamics Simulations

Koura

Shimojo

2018

Physica Status Solidi (b)

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“…Pressure P, temperature T, number density ȡ, and the ratio of volume V/V0, where V0 is the volume at ambient condition. [3] illustrated by circles at wide pressure range.…”

Section: Numerical Detailsmentioning

confidence: 99%

“…It has been suggested that, under further compression, GeTe eventually becomes bcc (CsCltype) structure at 40-50 GPa, through several structural changes [2]. The pressure dependence of the structure of the liquid state was also reported by X-ray diffraction measurements [3], which suggest that the structural change in the liquid state is different from that in the crystalline state. However, the details are not clarified yet.…”

Section: Introductionmentioning

confidence: 99%

Pressure dependence of the static structure of liquid GeTe based on ab initio molecular dynamics simulations

Koura

Shimojo

2017

EPJ Web Conf.

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Abstract.We have investigated the pressure dependence of the static structure of liquid GeTe based on ab initio molecular dynamics simulations. The pressure range is between ambient pressure and 250 GPa, and their temperatures between 1000 K and 4000 K, which keep the liquid state. In this study, we found two transition stages caused by the compression. At the first stage, below 12 GPa, atomic distances elongate and Peierls-type distortion is dissolved with increasing pressure. At the second stage, above 12 GPa, atomic distances shorten and the electronic states shows metallic.

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Multiple phase transitions in Sc doped Sb2Te3 amorphous nanocomposites under high pressure

Zhang

Wang

et al. 2020

Applied Physics Letters

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Subnanosecond switching speed from an amorphous state with stable crystal precursors to the crystalline state was recently achieved in amorphous Sc-doped Sb2Te3 (a-SST) phase change materials (PCMs), which is about two orders of magnitude faster than that in the well-studied Ge2Sb2Te5 and Ge1Sb2Te4 PCMs. However, the phase change mechanism and phase stability of a-SST remain unknown. Here, we prepared amorphous Sc0.3Sb2Te3 nanocomposites within a minute amount of face-centered-cubic (FCC) type nanograins embedded in the amorphous matrix. Using in situ high-pressure synchrotron X-ray diffraction, we found that nanograins were frustrated under high pressure and gradually dissolved into the matrix around 11.0 GPa. Beyond 11.0 GPa, the a-SST matrix transformed into a uniform high density metallic like amorphous state with a five orders of magnitude drop in electric resistivity compared to the pristine materials. When further compressed to 23.97 GPa, the high density amorphous (HDA) phase switched into a body-centered-cubic (BCC) high-pressure structure, a different phase from the ambient pressure crystalline structure. Upon decompression back to ambient pressure, a pure amorphous phase was sustained. The present study provides additional insight into the phase change mechanism of amorphous nanocomposites.

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Pressure-induced structural change in liquid GeTe and liquid GeSe

Cited by 5 publications

References 16 publications

Static Structure of Liquid GeSe Under Pressure: Ab Initio Molecular Dynamics Simulations

Static Structure of Liquid GeSe Under Pressure: Ab Initio Molecular Dynamics Simulations

Pressure dependence of the static structure of liquid GeTe based on ab initio molecular dynamics simulations

Multiple phase transitions in Sc doped Sb2Te3 amorphous nanocomposites under high pressure

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