Perovskite-type YRh$_{3}$B with multiple types of nodal point and nodal line states

TL;DR

This study predicts YRh₃B as a novel topological material with multiple nodal points and lines, demonstrating rich topological states and surface states, which could be useful for electronic devices and fundamental research.

Contribution

First-principles calculations reveal YRh₃B's complex topological states, including multiple nodal points and lines, under various conditions, expanding the understanding of topological materials.

Findings

YRh₃B exhibits a quadratic contact triple point at Γ.

Presence of six pairs of open nodal lines of hybrid type.

Rich topological states under strain, including various nodal points and lines.

Abstract

Experimentally synthesized perovskite-type YRh$_{3}$B with a $Pm\bar{3}m$ type structure was proposed as a novel topological material (TM) via first-principles calculations and the low-energy $k\cdot p$ effective Hamiltonian, which has a quadratic contact triple point (QCTP) at point $\Gamma$ and six pairs of open nodal lines (NLs) of the hybrid type. Clear surface states observed in the surface spectrum confirmed the topological states. When spin-orbit coupling was considered, the QCTP at $\Gamma$ transferred to the quadratic-type Dirac nodal point (NP). Under 1$\%$ tetragonal strained lattice constants, YRh$_{3}$B hosted richer topological states, including a quadratic-type two-fold degenerate NP, six pairs of open NLs of the hybrid type, and two closed NLs of type I and hybrid type. Moreover, it was proved that the NLs of YRh$_{3}$B at its strained lattice constants contain all types of band-crossing points (BCPs) (i.e., type I, type II, and critical type). Such rich types of NP and NL states in one compound make it potentially applicable for multifunctional electronic devices as well as an appropriate platform to study entanglement among topological states.