Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session Y36: van der Waals effects in low dimensional systems
11:15 AM–1:51 PM,
Friday, March 9, 2018
LACC
Room: 410
Sponsoring
Unit:
DMP
Chair: Alexander Balandin, University of California, Riverside
Abstract ID: BAPS.2018.MAR.Y36.4
Abstract: Y36.00004 : van der Waals interactions in low-dimensional nanostructures (2D, 1D, 0D) and layered solids
11:51 AM–12:27 PM
Presenter:
John Dobson
(Queensland Micro and Nano Technology Centre, Griffith University )
Author:
John Dobson
(Queensland Micro and Nano Technology Centre, Griffith University )
Chemically oriented computational schemes generally begin by dividing each interacting system into "units" (most commonly atoms). The simplest approach then adds contributions between all pairs of units, but there are also beyond-pairwise dispersion interactions that can be very important. A general and intuitive perspective [1] will be presented, for understanding the non-pairwise interactions. The three basic mechanisms have been (unimaginatively!) termed "Type-A", "Type-B" and "Type-C" non-additivity.
Layered systems are an important sub-class, with interesting vdW physics still being uncovered [2]. A tractable vdW computational scheme will be briefly discussed for layered systems, via a "Layer-Response Theory" [3] that bridges between Lifshitz and more microscopic approaches.
Some very recent work on zero dimensions will be presented, following on from Ref [4].
[1] John F. Dobson. Int. J. Quantum Chem. 114, 1157 (2014) DOI: 10.1002/qua.24635
[2] John F. Dobson, Tim Gould and Giovanni Vignale, Physical Review X 4, 021040 (2014)
[3] John F. Dobson, Tim Gould, S. Lebegue. Phys. Rev. B 93, 165436 (2016)
[4] John F. Dobson, Andreas Savin, Janos G. Angyan, and Ru-fen Liu,
J. Chem. Phys. 145, 204107 (2016)
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.Y36.4
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