Schrödinger

About: Schrödinger is a based out in . It is known for research contribution in the topics: Sputtering & Ion. The organization has 1621 authors who have published 2200 publications receiving 81554 citations.

Sputtering of Au by cluster impact

Abstract: Using molecular-dynamics simulation, we study the sputtering of a Au (1 1 1) surface by Au n clusters ( n = 1–201) with impact energies between 0.16 and 64 keV/atom. We vary systematically both the total energy E and the cluster size n , such that the dependence of the sputter yield on these quantities can be discussed. As our basic result, we find the sputter yield Y to scale with the total energy E of the projectile. The sputter yield exhibits a polynomial increase, ∝ E 1.6 , up to a critical energy E c ≅ 40 keV, which coincides roughly with the threshold energy for subcascade formation. Above E c , the yield increases approximately linearly with E . These findings are discussed in the light of the considerable data base of Au sputtering which has been built up in recent years due both to experimental and simulational work.

Singular Weyl–Titchmarsh–Kodaira theory for one-dimensional Dirac operators

Abstract: We develop singular Weyl–Titchmarsh–Kodaira theory for one-dimensional Dirac operators. In particular, we establish existence of a spectral transformation as well as local Borg–Marchenko and Hochstadt–Lieberman type uniqueness results. Finally, we give some applications to the case of radial Dirac operators.

Starke P – P‐Wechselwirkungen in Tetraphosphacubanen, PE‐spektroskopische Untersuchungen

Abstract: Strong P – P Interactions in Tetraphosphacubanes. A PE-Spectroscopic Investigation The comparison between the first peaks of the PE spectra of (tBuCP)4 (2a) yields about the same ionization energy for the first peak (4t2), but a large difference (ca, 0.8 eV) for the second peak (1t1). This difference is due to a strong interaction of the n orbitals at P with the P-C σ bonds in 1. This n/σ interaction is much smaller in the case of 2. The energy difference between 24T2 and 23A1, corresponding to the lone-pair combinations of the n orbitals at the P atoms, amounts to ≥ 3.4 eV for 1a and is estimated at ≥ 1.6 eV for 2a. The net charges for the P atoms in 1 are calculated to be positive, those for the C atoms negative. In the case of 2 negative values result for P and positive values for the net charges at Si.