Crossing-line-node semimetals: General theory and application to rare-earth trihydrides

Abstract

Multiple line nodes in energy-band gaps are found in semimetals preserving mirror-reflection symmetry. We classify possible configurations of multiple line nodes with crossing points (crossing line nodes) under point-group symmetry. Taking the spin-orbit interaction (SOI) into account, we also classify topological phase transitions from crossing-line-node Dirac semimetals to other topological phases, e.g., topological insulators and point-node semimetals. This study enables one to find crossing-line-node semimetal materials and their behavior in the presence of SOI from the band structure in the absence of SOI without detailed calculations. As an example, the theory applies to hexagonal rare-earth trihydrides with the HoD3 structure and clarifies that it is a crossing-line-node Dirac semimetal hosting three line nodes.