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In general, the transition elements, including Hafnium (Hf), have become the focus of researchers′ attention, as when they combine with chalcogens and halides, they turn into semiconductors with distinct energy gaps. Moreover, chalcogens and halides are desirable in scientific research when forming layers or membranes. The Janus monolayer is unique two-faced material composed of two different chemical species on opposite sides of a single layer. Herein, we use first-principles simulations to thoroughly investigate the electrical and optical properties of this material. Our calculations reveal that the Bromochlorohafnium (HfClBr) Janus monolayer is an indirect semiconductor at equilibrium, with an energy gap of 0.928 eV and changing from 0.532 eV to 1.233 eV after applying the biaxial strain, as determined by the Perdew-Burke-Ernzerhof (PBE) method. The results indicate that the Janus HfClBr monolayer has a competitive advantage over other materials for use in solar cells and energy s ....

Janus-hfclbr , Bromochlorohafnium-hfclbr-janus , Biaxial-strain , Density-functional-theory , First-principle-calculations , Anus-hfclbr-monolayer , Optoelectronic-properties ,