Emerging Weyl Semimetal States in Ternary TaP<i>_x</i>As₁₋<i>_x</i> Alloys: Insights from Electronic and Topological Analysis

This study presents a thorough analysis of the electronic structures TaPxAs1−x series compounds, which are significant interest due to their potential as topological materials. Using combination first principles and Wannier-based tight-binding methods, this investigates both bulk surface compounds for varying compositions (x = 0, 0.25, 0.50, 0.75, 1), with focus on properties. By using chirality analysis, (111) structure Fermi arcs it is established that exhibit topologically nontrivial behavior, characterized Weyl semimetals (WSMs). The effect spin–orbit coupling (SOC) properties further studied. In absence SOC, linearly dispersive fourfold degenerate points in Brillouin zone (FBZ) resembling Dirac semimetals. However, introduction SOC induces phase transition WSM states, number position (WPs) depending composition alloy. For example, TaP has 12 WPs FBZ. findings provide novel insights into implications development materials various technological applications.