Interatomic potentials of triplet s‐Rydberg series of HgNe and HgAr van der Waals dimers

1994 ◽  
Vol 101 (9) ◽  
pp. 7290-7299 ◽  
Author(s):  
Ken Onda ◽  
Kaoru Yamanouchi ◽  
Misaki Okunishi ◽  
Soji Tsuchiya
Keyword(s):  
Van Der Waals ◽  
Interatomic Potentials ◽  
Rydberg Series

The spectroscopy of van der Waals molecules

1976 ◽  
Vol 54 (5) ◽  
pp. 487-504 ◽  
Author(s):  
George E. Ewing
Keyword(s):  
Energy Levels ◽  
Van Der Waals ◽  
Electronic Spectroscopy ◽  
Spectroscopic Constants ◽  
Intermolecular Potential ◽  
Interatomic Potentials ◽  
Strongly Coupled ◽  
Van Der Waals Molecules ◽  
Angular Momenta ◽  
Vibration Rotation

The recent spectroscopy of van der Waals molecules is reviewed. Examples are presented from radio-frequency, microwave, Raman, infrared, and electronic spectroscopy. Diatomic van der Waals molecules (e.g. Ne2, Ar2, Kr2, Mg2) reveal a manifold of closely spaced vibration–rotation levels consistent with the small dissociation energies which are orders of magnitude less than for ordinary chemically bonded molecules. The (isotropic) interatomic potentials which define these molecules may be evaluated from their energy levels. Polyatomic van der Waals molecules (e.g. H2–Ar, FCl–Ar, (H2)2, (O2)2, (CO2)2) are classified according to the strength of the (anisotropic) intermolecular potential which tends to define their geometry. This classification depends on the nature of the coupling of the rotational angular momenta and leads to a labeling of the complexes as free rotor, weakly coupled, strongly coupled, or semirigid. The spectroscopic constants which are determined from the energy levels of diatomic and polyatomic van der Waals molecules can be used to better understand the intermolecular bonding which holds these molecules together.

scholarly journals Exceptional in-plane and interfacial thermal transport in graphene/2D-SiC van der Waals heterostructures

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Md. Sherajul Islam ◽  
Imon Mia ◽  
Shihab Ahammed ◽  
Catherine Stampfl ◽  
Jeongwon Park
Keyword(s):  
Thermal Conductivity ◽  
Heat Conduction ◽  
Van Der Waals ◽  
New Physics ◽  
Infinite Length ◽  
Interatomic Potentials ◽  
Van Der Waals Heterostructures ◽  
Functional Efficiency ◽  
Out Of Plane ◽  
The Impact

AbstractGraphene based van der Waals heterostructures (vdWHs) have gained substantial interest recently due to their unique electrical and optical characteristics as well as unprecedented opportunities to explore new physics and revolutionary design of nanodevices. However, the heat conduction performance of these vdWHs holds a crucial role in deciding their functional efficiency. In-plane and out-of-plane thermal conduction phenomena in graphene/2D-SiC vdWHs were studied using reverse non-equilibrium molecular dynamics simulations and the transient pump-probe technique, respectively. At room temperature, we determined an in-plane thermal conductivity of ~ 1452 W/m-K for an infinite length graphene/2D-SiC vdWH, which is superior to any graphene based vdWHs reported yet. The out-of-plane thermal resistance of graphene → 2D-SiC and 2D-SiC → graphene was estimated to be 2.71 × 10−7 km2/W and 2.65 × 10−7 km2/W, respectively, implying the absence of the thermal rectification effect in the heterobilayer. The phonon-mediated both in-plane and out-of-plane heat transfer is clarified for this prospective heterobilayer. This study furthermore explored the impact of various interatomic potentials on the thermal conductivity of the heterobilayer. These findings are useful in explaining the heat conduction at the interfaces in graphene/2D-SiC vdWH and may provide a guideline for efficient design and regulation of their thermal characteristics.

Interatomic potentials ofA 30+andB 31 states of HgHe, HgNe, and HgAr van der Waals complexes

1988 ◽  
Vol 88 (1) ◽  
pp. 205-212 ◽  
Author(s):  
Kaoru Yamanouchi ◽  
Shinji Isogai ◽  
Misaki Okunishi ◽  
Soji Tsuchiya
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Interatomic Potentials

Interatomic potentials of the heavy van der Waals dimer Hg 2 : A “test-bed” for theory-to-experiment agreement

2015 ◽  
Vol 591 ◽  
pp. 1-31 ◽  
Author(s):  
M. Krośnicki ◽  
M. Strojecki ◽  
T. Urbańczyk ◽  
A. Pashov ◽  
J. Koperski
Keyword(s):  
Van Der Waals ◽  
Interatomic Potentials ◽  
Test Bed ◽  
Van Der Waals Dimer

An explanation of the crystal structure of the rare gas solids

1974 ◽  
Vol 336 (1606) ◽  
pp. 365-377 ◽  
Keyword(s):  
Crystal Structure ◽  
Band Structure ◽  
Excited States ◽  
Solid Helium ◽  
Van Der Waals ◽  
Energy Difference ◽  
Relative Energy ◽  
Rare Gas ◽  
Interatomic Potentials ◽  
Starting Point

A new explanation of why the crystal structure of the rare gas solids, Ne, Ar, Kr and Xe is f. c. c. rather than h. c. p. is offered. The magnitude of the relative energy difference, ∆ = ( E f. c. c. – E h. c. p. )/ E t. c. c. , is estimated and it is shown that the effect is numerically large enough in all these solids ( ∆ ≳ + 1 x 10 –3 ) to overcome the small preference of two-body interatomic potentials for the h. c. p. structure ( ∆ ≃ – 10 –4 ). The effect is much weaker in helium and so the h. c. p. structure of solid helium emerges naturally as a consequence of the two-body potential. The explanation depends on the modification of the (long-range) van der Waals energy by the (short-range) overlap of atomic excited states with the neighbouring atoms in the crystal. The resulting crystal field in the f. c. c. and h. c. p. structures splits excited d-states by different amounts. The f. c. c. structure is favoured because the energy split is wider in f. c. c. (which is centrosymmetric) than in h. c. p. (which does not have a centre of symmetry at the atomic sites); the resulting van der Waals attractive energy is thereby greater in f. c. c. An alternative approach is also developed, which uses the band states of the crystal as a starting-point, and yields a similar result. We expect that, if good enough band structure calculations of h. c. p. rare gas solids were available, the best way to estimate the value of ∆ would be to calculate the van der Waals energy in the solid in terms of band structure energies for the excited states and gas phase values for the dipole matrix elements. Preliminary estimates of the size of the effect, based on currently available band structure data, suggest that ∆ ranges from approximately 12 x 10 –4 for Ne to 27 x 10 –4 for Xe; these values are quite sufficient to explain the stability of the f. c. c. structure.

Interatomic potentials of the Hg-Kr Van der Waals molecule

Physica B+C ◽  
1981 ◽  
Vol 106 (3) ◽  
pp. 431-444 ◽  
Author(s):  
T. Grycuk ◽  
E. Czerwosz
Keyword(s):  
Van Der Waals ◽  
Interatomic Potentials

Interatomic potentials of HgXe van der Waals complex formed in supersonic jets as studied by laser induced fluorescence spectroscopy

1986 ◽  
Vol 85 (4) ◽  
pp. 1806-1811 ◽  
Author(s):  
Kaoru Yamanouchi ◽  
Junichiro Fukuyama ◽  
Hiroyuki Horiguchi ◽  
Soji Tsuchiya ◽  
Kiyokazu Fuke ◽  
...  
Keyword(s):  
Fluorescence Spectroscopy ◽  
Van Der Waals ◽  
Laser Induced Fluorescence ◽  
Supersonic Jets ◽  
Interatomic Potentials ◽  
Van Der Waals Complex

scholarly journals Interatomic potentials of van der Waals dimers Hg2and Cd2: Probing discrepancies between theory and experiment

2017 ◽  
Vol 810 ◽  
pp. 012018
Author(s):  
T Urbańczyk ◽  
M Krośnicki ◽  
M Strojecki ◽  
A Pashov ◽  
A Kędziorski ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Interatomic Potentials ◽  
Theory And Experiment
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