8,234 research outputs found
Strong 3p -T1u Hybridization in Ar@C60
Multilayers of fullerenes with and without endohedral Ar units, C60 and
Ar@C60, were investigated by photoemission and density functional theory. The
stoichiometry and the endohedral nature of Ar is checked by x-ray photoelectron
spectroscopy and x-ray photoelectron diffraction. Valence band ultraviolet
photoemission spectra show a strong hybridisation of the Ar 3p valence shell
with the 6T1u molecular orbital of C60. A hybridisation gap of 1.6 +/- 0.2 eV
is found. This is in agreement with density functional theory (DFT) that
predicts 1.47 eV, and indicates Ar@C60 to be a noble gas compound with a strong
coupling between Ar and the C60 cage. No giant Ar photoemission cross section
as predicted for the gas phase in [Phys. Rev. Lett. 99, 243003 (2007)] was
found
Pressure-induced enhancement of superconductivity and superconducting-superconducting transition in CaC
We measured the electrical resistivity, , of superconducting
CaC at ambient and high pressure up to 16 GPa. For 8 GPa, we found
a large increase of with pressure from 11.5 up to 15.1 K. At 8 GPa,
drops and levels off at 5 K above 10 GPa. Correspondingly, the residual
increases by 200 times and the behavior
becomes flat. The recovery of the pristine behavior after depressurization is
suggestive of a phase transition at 8 GPa between two superconducting phases
with good and bad metallic properties, the latter with a lower and more
static disorder
Motion plan changes predictably in dyadic reaching
Parents can effortlessly assist their child to walk, but the mechanism behind such physical coordination is still unknown. Studies have suggested that physical coordination is achieved by interacting humans who update their movement or motion plan in response to the partner's behaviour. Here, we tested rigidly coupled pairs in a joint reaching task to observe such changes in the partners' motion plans. However, the joint reaching movements were surprisingly consistent across different trials. A computational model that we developed demonstrated that the two partners had a distinct motion plan, which did not change with time. These results suggest that rigidly coupled pairs accomplish joint reaching movements by relying on a pre-programmed motion plan that is independent of the partner's behaviour
Bilinear Equations and B\"acklund Transformation for Generalized Ultradiscrete Soliton Solution
Ultradiscrete soliton equations and B\"acklund transformation for a
generalized soliton solution are presented. The equations include the
ultradiscrete KdV equation or the ultradiscrete Toda equation in a special
case. We also express the solution by the ultradiscrete permanent, which is
defined by ultradiscretizing the signature-free determinant, that is, the
permanent. Moreover, we discuss a relation between B\"acklund transformations
for discrete and ultradiscrete KdV equations.Comment: 11 page
Transition state method and Wannier functions
We propose a computational scheme for materials where standard Local Density
Approximation (LDA) fails to produce a satisfactory description of excitation
energies. The method uses Slater's "transition state" approximation and Wannier
functions basis set. We define a correction to LDA functional in such a way
that its variation produces one-electron energies for Wannier functions equal
to the energies obtained in "transition state" constrained LDA calculations. In
the result eigenvalues of the proposed functional could be interpreted as
excitation energies of the system under consideration. The method was applied
to MgO, Si, NiO and BaBiO and gave an improved agreement with experimental
data of energy gap values comparing with LDA.Comment: 13 pages, 6 figures, 1 tabl
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