Myopic related retinal changes among the Hong Kong Chinese high myopes

2012/01/01 by Gabriel C. Constantinescu, Gabriel Constantinescu, Agnieszka Kuc +2 · 7 citations
Chemistry · Materials Science · Medicine · Physics and Astronomy · #2D Materials and Applications #Ab initio #Ab initio quantum chemistry methods #Atom (system on chip) #Bilayer #Boron and Carbon Nanomaterials Research #Boron nitride #Chemistry #Computational chemistry #Condensed matter physics #Crystallography #Density functional theory #Dispersion (optics) #Geography #Glaucoma and retinal disorders #Graphene #Graphene research and applications #Hexagonal boron nitride #Materials science #Medicine #Membrane #Molecular physics #Molecule #Nanotechnology #Nuclear magnetic resonance #Ophthalmology #Ophthalmology and Eye Disorders #Ophthalmology and Visual Impairment Studies #Optometry #Perturbation theory (quantum mechanics) #Physics #Quantum mechanics #Retinal #Stacking #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevlett.111.036104

published as Physical Review Letters 111, 036104 (2013) · Accepted to Phys. Rev. Lett., 10 pages, 2 figures, SI provided

openalex publication_date 2012/01/01 · arxiv created 2013/07/02 · arxiv updated 2015/06/16 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/02

Abstract

The stacking orders in layered hexagonal boron nitride bulk and bilayers are studied using high-level ab initio theory [local second-order Møller-Plesset perturbation theory (LMP2)]. Our results show that both electrostatic and London dispersion interactions are responsible for interlayer distance and stacking order, with AA' being the most stable one. The minimum energy sliding path includes only the AA' high-symmetry stacking, and the energy barrier is 3.4 meV per atom for the bilayer. State-of-the-art density functionals with and without London dispersion correction fail to correctly describe the interlayer energies with the exception of a Perdew-Burke-Ernzerhof functional intended for solid state and surface systems that agrees very well with our LMP2 results and experiment.

Citations

• Generalized Gradient Approximation Made Simple
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
• Rationale for mixing exact exchange with density functional approximations
• Special points for Brillouin-zone integrations
• Porous, Crystalline, Covalent Organic Frameworks
• Mechanochemical Synthesis of Chemically Stable Isoreticular Covalent Organic Frameworks
• Density-functional thermochemistry. III. The role of exact exchange
• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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• Flat bands, strains, and charge distribution in twisted bilayer h−BN
• Cavity Quantum Electrodynamics at Arbitrary Light-Matter Coupling Strengths
• Moiré-pattern interlayer potentials in van der Waals materials in the random-phase approximation
• Epitaxial Synthesis of Blue Phosphorene