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

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