Scaleability of dielectric susceptibility ${\epsilon }_{zz}$ with the number of layers and additivity of ferroelectric polarization in van der Waals semiconductors

Abstract

We study the dielectric response of few layered crystals of various transition metal dichalcogenides (TMDs) and hexagonal Boron Nitride (hBN). We showed that the out-of-plane polarizability of a multilayer crystal (which characterizes response to the external displacement field) scales linearly with the number of layers, ${\alpha }_{zz}^{NL}=N{\alpha }_{zz}^{1L}$, independently of the stacking configuration in the film. We also established additivity of ferroelectric polarizations of consecutive interfaces in case when such interfaces have broken inversion symmetry. Then we used the obtained data of monolayer ${\alpha }_{zz}^{1L}$ to calculate the values of the dielectric susceptibilities for semiconductor TMDs and hBN bulk crystals.

8 pages, 4 figures

References in corpus (13)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Stacking-engineered ferroelectricity in bilayer boron nitride
• Interfacial Ferroelectricity by van-der-Waals Sliding
• Interfacial ferroelectricity in marginally twisted 2D semiconductors
• Charge-polarized interfacial superlattices in marginally twisted hexagonal boron nitride
• Infrared Reflectance Spectrum of BN Calculated from First Principles
• MoS2: a Choice Substrate for Accessing and Tuning the Electronic Properties of Graphene
• Multifaceted moiré superlattice physics in twisted WSe${}_2$ bilayers
• Piezoelectric networks and ferroelectric moiré superlattice domains in twistronic WS${}_2$/MoS${}_2$ and WSe${}_2$/MoSe${}_2$ bilayers
• Flat bands, strains, and charge distribution in twisted-bilayer hBN
• Weak ferroelectric charge transfer in layer-asymmetric bilayers of 2D semiconductors
• A scalable network model for electrically tunable ferroelectric domain structure in twistronic bilayers of two-dimensional semiconductors

Cited by in corpus (3)

• Built-in Bernal gap in large-angle-twisted monolayer-bilayer graphene
• Two-dimensional electrons at mirror and twistronic twin boundaries in van der Waals ferroelectrics
• Ferroelectric Properties of van der Waals Chalcogenides: DFT perspective