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Ultrahigh carrier m...
Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer
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- Raval, Dhara (författare)
- Gujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.
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- Babariya, Bindiya (författare)
- Gujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.
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- Gupta, Sanjeev K. (författare)
- St Xaviers Coll, Dept Phys & Elect, Computat Mat & Nanosci Grp, Ahmadabad 380009, Gujarat, India.
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- Gajjar, P. N. (författare)
- Gujarat Univ, Univ Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India.
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- Ahuja, Rajeev, 1965- (författare)
- Uppsala universitet,Materialteori,Condensed Matter Theory Group
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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. (creator_code:org_t)
- 2020-11-10
- 2021
- Engelska.
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Ingår i: Journal of Materials Science. - : Springer Nature. - 0022-2461 .- 1573-4803. ; 56, s. 3846-3860
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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