Properties of a Suggested Commensurate Monolayer Solid of Kr/NaCl(001)

Bruch, L. W.

doi:10.1021/jp111759p

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2012

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“…The variational approximation coincides with the second-order perturbation result at small corrugations, and it eliminates the divergent dilation at large corrugations that was described previously 6 for Kr/NaCl(001).…”

Section: Acknowledgmentssupporting

confidence: 79%

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Initial stages of square lattice stacks of CH4/MgO(001)

Bruch

Larese

2012

Phys. Rev. B

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Calculations of monolayer and bilayer lattices of methane on MgO(001) are reported for a spherical model of the molecule. The observed stability of c(2×2) [also termed (• ] commensurate square monolayer and bilayer lattices is reproduced with a surface energy corrugation that implies a large gap in the monolayer phonon density of states of the commensurate CH4. This gap is present in the incoherent inelastic neutron scattering measurements reported here.

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Section: Acknowledgmentssupporting

confidence: 79%

“…Structures (1) and (2) are analogous to the (1 × 1) lattices treated 6 for Kr/NaCl(001), while (3) is approximated as described in the Appendix. (4) is a structure that may be accessed 7 for CH 4 /MgO(001) but does not arise for Kr/NaCl(001).…”

Section: Interaction Models and Theorymentioning

confidence: 99%