Department Of Physics

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Author: search.filters.author.Ahluwalia, P.K.Has files: Yes

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    Stability, electronic and optical properties of in-plane WSe2 heterophase nano-ribbons
    (American Institute of Physics, 2019) Bharti, A; Katoch, N; Kumar, Ashok; Sharma, R; Ahluwalia, P.K.
    We present first principle investigations on in-plane phase engineered nanoribbons with two different widths. 2H and 1T' phases of WSe2 are joined along x-direction, which forms an armchair type interface. The low values of formation energy shows that these structure are energetically stable. The study of electronic structure reveals that they are metallic and the electronic conductivity varies significantly with ribbon length. The ribbons show anisotropic dielectric response compared to constituent monolayers. Optical properties alter considerably for these hetero-systems showing potential for tunable opto-electronic applications. © 2019 Author(s).
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    Stability and electronic structure of tricycle-type allotropes of pnictogen monolayers
    (American Institute of Physics, 2019) Jamdagni, P; Thakur, A; Kumar ,Ashok; Ahluwalia, P.K.
    We report stability and electronic structure of tricycle-type allotrope of pnictogen monolayers within state-of-the-art density functional theory (DFT) calculations. The considered monolayer structure of two-dimensional (2D) As and Sb are found to be energetically more stable than the previously reported puckered and buckled structures, however, 2D Bi prefer zigzag-type high-buckled structure. Electronic band structure calculations suggest the considered monolayers structure to be narrow direct bandgap semiconductors with bandgap ranging 0.2-0.6 eV along with Dirac-cone features at band edges. Spin-orbit coupling (SOC) further reduce the bandgap by shifting the band edges towards Fermi level. We believe that our theoretical study will add more 2D materials with Dirac-cone features in the fascinating class of family and may guide the experimentalists to realize them for various nanoelectronic applications. © 2019 Author(s).