Pressure-Induced Electronic and Structural Transition in Nodal-Line Semimetal ZrSiSe

Abstract

The nodal-line semimetals have recently gained attention as a promising material due to their exotic electronic structure and properties. Here, we investigated the structural evolution and physical properties of nodal-line semimetal ZrSiSe under pressure via experiments and theoretical calculations. An isostructural electronic transition is observed at ∼6 GPa. Upon further compression, the original tetragonal phase starts to transform into an orthorhombic phase at ∼13 GPa and the two phases coexist until the maximal experimental pressure. By analysis of the electronic band structure, we suggest that the significant changes in the Fermi surface contribute to the occurrence of the isostructural electronic transition. The results provide a new insight into the structure and properties of ZrSiSe.

Impact of Pressure on Structural, Vibrational, and Electrical Properties of Nodal-Line Semimetal HfGe0.92Te

“…Furthermore, the positions of 2D SDP can be modified by applying uniaxial strain or introducing vacancies . Multiple experimental and theoretical studies have observed the pressure-induced transitions in bulk compounds ZrSiX (where X can be elements like S, Se, or Te). − The theoretical insights derived from first-principles calculations of HfGeTe have shed light on a sequence of pressure-induced transitions associated with 2D SDP distributed across various Brillouin zone positions in HfGeTe . This perceptive theoretical prognosis served as a robust catalyst for our extensive investigations into pressure-induced topological transitions within HfGeTe compounds through synchrotron X-ray diffraction, Raman scattering, and electrical transport measurements.…”

Observation of Type-II Topological Nodal-Line Fermions in ZrSiSe

“…Among the reported nodal-line semimetals, the ZrSiX family of materials has attracted significant attention due to the large energy window of the linear band dispersion in certain regions of the Brillouin zone . The band structures of these materials have been extensively investigated through theoretical calculations and angle-resolved photoemission spectroscopy (ARPES) measurements. ,− While the physical properties of typical type-I nodal-line semimetals have been studied using various transport and optical measurements, ,,,− the band structure of ZrSiX near the Fermi energy in the Z-R range is predicted to exhibit the shape of a type-II nodal line, especially in the case of ZrSiSe …”