First-principles investigation reveals topological changes in CsCdSb under strain, indicating significant electronic properties.
We present a first-principles investigation of the electronic and phononic topological properties of the ternary compound CsCdSb, with particular emphasis on the role of crystalline symmetry and external strain. In the absence of spin-orbit coupling (SOC), the electronic band structure hosts symmetry-protected nodal lines located in the mirror-invariant planes at kz = 0 and kz = π, forming distinct ring- and petal-like configurations in momentum space. The system hosts nodal lines in the absence of spin-orbit coupling, which acquire finite energy gaps once SOC is included. Under compressive strain, corresponding to an experimentally accessible pressure of about 1.93 GPa at -5% deformation, the system enters a topologically nontrivial phase confirmed by the calculated Z2 invariant. The phonon spectrum exhibits symmetry- enforced hourglass-type band connectivity arising from the interplay of nonsymmorphic and mixed symmorphic and nonsymmorphic crystal symmetries. These symmetry constraints generate hourglass like nodal loops and extended degeneracies that collectively form a nodal manifold in momentum space. Along generic momentum paths, symmetry-driven partner switching produces hourglass like crossings whose neck points define a hybrid nodal surface bounded by a quadratic nodal line. Our results demonstrate that CsCdSb provides a suitable platform for studying symmetry-protected topological phenomena in both electronic and phononic sectors, with strain-induced tunability confined to the electronic topology. These findings offering promising prospects for fundamental studies and potential multifunctional applications.
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T et al. (2026) studied this question.
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