Pressure‐Induced Topological Dirac Semimetallic Phase in KCdP

Dirac semimetals (DSMs), characterized by linear dispersion relations in their electronic band structure, have gained prominence due to their unique topological features and potential applications in electronic devices. Through systematic calculation, we explore the electronic structure evolution of KCdP under varying negative pressure conditions. Our findings reveal a compelling transition from a normal semiconductor to a triple point semimetal when spin–orbit coupling (SOC) is not introduced, whereas in the SOC case, it converts into a Dirac semimetallic state in KCdP under negative triaxial pressure. The electronic band structure exhibits distinct Dirac cones at the Fermi level, indicating the presence of massless Dirac fermions. Moreover, the negative pressure‐induced Dirac semimetallic phase in this compound is found to be robust and is protected by crystal symmetry. We provide a symmetry analysis of the bandgap, Fermi surface, Fermi velocity, and other relevant electronic properties, offering insights into the pressure‐driven phase transition in KCdP. The tunability of this material under external pressure suggests the potential utility in next‐generation electronic devices and quantum technologies.