ArticleRSC advances2026
First-principles study of Janus TeWZH (Z = N, P, As) monolayers: vibrational behaviors and Raman activity, piezoelectricity, electronic properties, and carrier mobility.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
In this work, we systematically investigate the structural, vibrational, electronic, and transport properties of a series of novel Janus TeWZH (Z = N, P, As) monolayers using density functional theory. Our results confirm that these materials are structurally stable and exhibit semiconducting behavior with band gaps ranging from 1.42 to 2.19 eV at the HSE06 level of theory (calculated without spin-orbit coupling). Key findings include significant valence band splitting at the
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