2016
DOI: 10.1063/1.4973566
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Layers dependent dielectric properties of two dimensional hexagonal boron nitridenanosheets

Abstract: Two dimensional (2D) boron nitride (h-BN) nanosheets are well known as their tunable electric properties and well compatible with graphene. Studying the dielectric properties carefully is essential for their promised applications. Most previous first principle studies treated 2D h-BN as a strict 2D system, where the contribution of ion polarization is neglected. The results show obvious deviation from experimental values, and the situations are worse with the stacking layer increasing. Thus, in present works, … Show more

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Cited by 19 publications
(16 citation statements)
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References 43 publications
(35 reference statements)
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“…Meanwhile, partial band gap can be found in X → M, G → M, or G → X direction. Because it is nonplanar compared with planar honeycomb, the DOS of 2D titania nanosheets presents less 2D characters compared with h-BN; some steps indicating 2D features can also be found in the range of 0–100 cm –1 for o-ML and 160–318 cm –1 for p-ML, although they are far away from those for a strict 2D system. …”
Section: Resultsmentioning
confidence: 99%
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“…Meanwhile, partial band gap can be found in X → M, G → M, or G → X direction. Because it is nonplanar compared with planar honeycomb, the DOS of 2D titania nanosheets presents less 2D characters compared with h-BN; some steps indicating 2D features can also be found in the range of 0–100 cm –1 for o-ML and 160–318 cm –1 for p-ML, although they are far away from those for a strict 2D system. …”
Section: Resultsmentioning
confidence: 99%
“…Figure a,c,e shows the optical dielectric functions of the three structures calculated on the basis of HSE06. The correction was done to subtract the vacuum effect according to the dielectric equation for complex layered materials. , Electronic screening properties are described by the complex dielectric function ε­(ω) = ε r (ω) + iε i (ω), which depicts the electronic response to perturbation of the alternative electric field with frequency ω, and ε r and ε i represent screening ability of electrons and dielectric loss (photon absorption), respectively. For all sheets, the weakest screening ability is in z direction due to their size.…”
Section: Resultsmentioning
confidence: 99%
“…Indeed, by performing a comparison with all data in literature, one can see a large spread of the dielectric constant values reported for hBN. We can divide the data into three groups: those with a dielectric constant of 2–4; , others, including our work, reporting a dielectric constant between 5 and 12; , and finally, one group reporting a dielectric constant of >200 . The data are summarized in Table S1.…”
Section: Resultsmentioning
confidence: 99%
“…The similarity in energy of the indirect and direct ILX transitions also explains the seemingly contradictory claims of K → K excitons ( 4 , 8 , 10 ) and K → Λ excitons ( 9 , 13 , 27 ) in the literature. Our measurements allow direct comparison between the K → K ILX dipole moments extracted from the absorption spectrum and the ILX PL, thus avoiding the experimental uncertainties encountered when measuring the absolute values of the PL dipole moment [e.g., arising from the hBN dielectric constant ( 28 , 29 )].…”
mentioning
confidence: 99%