Orthorhombic Si6: Prediction of a metastable sp3 silicon semimetal with pseudo-Dirac nodal line

Xueqi Wang; Qianqian Wang; Biao Wan; Zhuangfei Zhang; Weixia Shen; Chao Fang; Yuewen Zhang; Liangchao Chen; Zhisheng Zhao; Julong He

doi:10.1039/d6cp00505e

January 1, 2026Physical Chemistry Chemical Physics

Orthorhombic Si6: Prediction of a metastable sp3 silicon semimetal with pseudo-Dirac nodal line

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Key Points

The study aims to predict the properties and structures of a new metastable silicon phase under specific conditions.
Simulation of silicon behavior under high pressure
Analysis of electronic structure
Identification of crystal phases based on pressure release conditions
Discovery of a new orthorhombic Si6 structure
Identification of its semimetal characteristics
Prediction of electronic properties associated with pseudo-Dirac nodal lines

Implication

This research uncovers a metastable sp3 silicon semimetal, revealing its unique electronic properties, suggesting potential applications in materials science.

Abstract

Releasing silicon from high pressure will lead to diverse metastable structures depending on the experimental conditions. However, identifying crystal structure of the metastable silicon phases becomes challenging based on limited...

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Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/69e31ff140886becb653f108 https://doi.org/10.1039/d6cp00505e

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Orthorhombic Si6: Prediction of a metastable sp3 silicon semimetal with pseudo-Dirac nodal line

Key Points

Implication

Abstract

Discussion

Cite This Study

Orthorhombic Si6: Prediction of a metastable sp3 silicon semimetal with pseudo-Dirac nodal line

Key Points

Implication

Abstract

Discussion

Cite This Study

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