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Ultrahigh carrier m...
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Raval, DharaGujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.
(author)
Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer
- Article/chapterEnglish2021
Publisher, publication year, extent ...
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2020-11-10
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Springer Nature,2021
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LIBRIS-ID:oai:DiVA.org:uu-450531
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-450531URI
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https://doi.org/10.1007/s10853-020-05501-wDOI
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
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In this study, we have examined the geometrical, electronic and optical properties of penta-PdX2 (X = As,P) using density functional calculation. The electronic structure calculations show that the penta-PdAs2 and PdP2 are semiconductors with direct band gaps of 0.34 eV and 0.30 eV, respectively. The dynamical stability of penta-PdX2 monolayer is proved by the absence of imaginary frequencies in the phonon dispersion curve. By applying a biaxial strain (for PdAs2: - 6% to + 6% and for PdP2: - 5.5% to + 5.5%) on the monolayer, the effective mass and band edges are tuned effectively. Remarkably, the range of penta-PdX2 carrier mobility was obtained in an extremely high order of 10(5) cm(2) V-1 s(-1) for holes and 10(4) cm(2) V-1 s(-1) for electrons. The optical properties of penta-PdX2 were also strained-tunable and exhibit outstanding absorption of infrared, visible and ultraviolet light. More importantly, the band edges alignment has tunable with implemented external electric field (V/angstrom) along the z-direction. Our work would stimulate the fabrication of penta-PdX2 monolayer, and it is envisioned that it is an appropriate future candidate for optoelectronic and ultra-fast electronic applications.
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Babariya, BindiyaGujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.
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Gupta, Sanjeev K.St Xaviers Coll, Dept Phys & Elect, Computat Mat & Nanosci Grp, Ahmadabad 380009, Gujarat, India.
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Gajjar, P. N.Gujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.
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Ahuja, Rajeev,1965-Uppsala universitet,Materialteori,Condensed Matter Theory Group(Swepub:uu)rajeeva
(author)
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Gujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.St Xaviers Coll, Dept Phys & Elect, Computat Mat & Nanosci Grp, Ahmadabad 380009, Gujarat, India.
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In:Journal of Materials Science: Springer Nature56, s. 3846-38600022-24611573-4803
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