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Symmetry-Protected Phonon Topology and Low Lattice Thermal Conductivity in Square-Octagonal Chalcogenides
Nair Surabhi Suresh, Mondal Chiranjith, Alam Aftab +1
Unconventional lattice geometries provide an effective platform for realizing symmetry-protected topological phonon states that can strongly influence lattice heat transport. In th…
Lead-free antiperovskite derivatives BaMA (M = P, As, Sb, Bi; A = Cl, Br, I): Next-gen materials for optoelectronics
Surajit Adhikari, Aftab Alam, Priya Johari
Antiperovskite derivatives have recently emerged as promising lead-free alternatives to halide perovskites for optoelectronic applications. Here, using a comprehensive first-princi…
Ternary Alkali Metal Copper Chalcogenides ACuX (A= Na, K and X= S, Se, Te): Promising Candidate for Solar Harvesting Applications
Gurudayal Behera, Surabhi Suresh Nair, Nirpendra Singh +2
We report a comprehensive first-principles study of the relative stability of the various possible crystal structures, and the electronic and optical properties of ternary alkali m…