Volume Dependence of Dielectric Properties of Some Fluorite‐Structure Crystals

Dutt, N. V. K.; Agrawal, G. G.; Shanker, J.

doi:10.1002/pssb.2221310211

Cited by 6 publications

(2 citation statements)

References 19 publications

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“…For the volume derivative of the dielectric constant we find ͑d⑀ ϱ ͒ / ͑d ln V͒ = −1.048, in good agreement with −1.07 from Dutt et al 69 Sharma and Shanker 83 obtained with electronic polarizabilities ͑Ruffa theory͒ a strain derivative of −1.15, somewhat larger than in CaF 2 . A Penn-model calculation gives the wrong sign.…”

Section: Volume Dependencesupporting

confidence: 90%

Volume and pressure dependence of ground-state and lattice-dynamical properties ofBaF2from density-functional methods

Schmalzl

2007

Phys. Rev. B

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We have performed an ab initio study of BaF 2 by employing different program packages. Ground-state and lattice-dynamical properties are obtained from ab initio density-functional theory within local-density approximation ͑LDA͒ and generalized-gradient approximation ͑GGA͒ employing pseudopotentials and plane-wave basis sets, the electronic properties also from full-potential LAPW+ LMTO methods. The results for the lattice constant and the electronic gap energies agree well within the LDA and GGA. For the band structure we found a valence-band maximum in the ⌺ direction in contrast to previous works. From density-functional perturbation theory we have calculated the phonon properties. Phonon dispersion curves, elastic constants, highfrequency dielectric constant, and effective charges and their volume and pressure dependence are presented.From the calculation of the anharmonic process of thermal expansion a softening of the X 2 Ј mode was found similar to that in CaF 2 .

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Section: Volume Dependencesupporting

confidence: 90%

Volume and pressure dependence of ground-state and lattice-dynamical properties ofBaF2from density-functional methods

Schmalzl

2007

Phys. Rev. B

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“…69-71. The different values observed for dielectric constants reported experimentally may change slightly depending on the synthesis method employed, 64,65 and could also vary depending on the temperature, 64 pressure, 72 and volume 73 considered during the measurement. As indicated in Secs.…”

Section: Fundamental Electrical Propertiesmentioning

confidence: 94%

Calcium fluoride as high-k dielectric for 2D electronics

Wen

Lanza

2021

Applied Physics Reviews

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Calcium fluoride is a dielectric material with a wide bandgap ($12.1 eV) and a relatively high dielectric constant ($6.8) that forms a van der Waals interface with two-dimensional (2D) materials, meaning that it contains a very low amount of defects. Thin calcium fluoride films can be synthesized using multiple techniques that are scalable to the wafer level, including molecular beam epitaxy, atomic layer deposition, and chemical vapor deposition. However, the consolidation of calcium fluoride as dielectric for 2D electronics requires overcoming some fundamental challenges related to material quality and integration, as well as carrying out advanced characterization and computational studies to evaluate its real potential. Here, we review the status of calcium fluoride dielectric films in terms of material synthesis, fundamental electrical properties, and future applications; we also discuss the most important challenges of calcium fluoride integration in 2D materials-based, solid-state nano/micro-electronic devices, and propose several potential routes to overcome them. Our manuscript may serve as a useful guide for other scientists working on 2D electronics in general, and provides a clear pathway for calcium fluoride research in the future.

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