Forthcoming Articles

International Journal of Computational Materials Science and Surface Engineering

International Journal of Computational Materials Science and Surface Engineering (IJCMSSE)

Forthcoming articles have been peer-reviewed and accepted for publication but are pending final changes, are not yet published and may not appear here in their final order of publication until they are assigned to issues. Therefore, the content conforms to our standards but the presentation (e.g. typesetting and proof-reading) is not necessarily up to the Inderscience standard. Additionally, titles, authors, abstracts and keywords may change before publication. Articles will not be published until the final proofs are validated by their authors.

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International Journal of Computational Materials Science and Surface Engineering (One paper in press)

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  • Anisotropic electronic and optical behaviour of monolayer SiP for next generation devices   Order a copy of this article
    by Usha Shukla 
    Abstract: Two dimensional (2D) low symmetry materials have recently emerged as promising platforms for next generation optoelectronic devices due to their intrinsic anisotropic electronic and optical properties. In this work, we present a comprehensive first principles investigation of the anisotropic electronic structure and polarisation sensitive optical response of monolayer silicon phosphide (SiP), a group IV-V layered semiconductor with an orthorhombic crystal structure. The reduced in plane symmetry of SiP gives rise to pronounced direction dependent band dispersion, leading to significant effective mass asymmetry and anisotropic carrier transport along armchair and zigzag directions. Detailed analysis of orbital contributions reveals that hybridised Si-P states dominate near the band edges, governing the anisotropic electronic behaviour. Furthermore, the optical response exhibits strong polarisation dependence, with distinct absorption characteristics and enhanced light matter interaction along specific crystallographic orientations. The study also highlights nonlinear optical behaviour, including polarisation dependent third harmonic generation (THG), confirming the potential of SiP for advanced photonic applications.
    Keywords: monolayer silicon phosphide (SiP); anisotropic electronic properties; polarisation dependent optical response; low symmetry 2D materials; polarisation sensitive photodetectors; nonlinear optics (THG).
    DOI: 10.1504/IJCMSSE.2027.10079247
     

 

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