𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structure and properties of small silicon and aluminum clusters

✍ Scribed by Karl Jug; Hans-Peter Schluff; Hans Kupka; Rüdiger Iffert

Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
554 KB
Volume
9
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

✦ Synopsis

Small Sin and Al, clusters (n = 3-10) were studied with the semiempirical molecular orbital method (MO) method SINDO1. For each n, various structures were optimized to determine the most stable structure. To obtain good qualitative agreement with available ab initio calculations d orbitals had to be omitted from the basis set. Both silicon and aluminum tend to build three-dimensional structures rather than two-or one-dimensional structures, except for n = 3 or 4. The structure growth was studied by approaching various sites of stable structures with one or more atoms. It was found that silicon and aluminum exhibit different structure growth, and consequently, different most-stable structures. Ionization potentials, HOMO-LUMO energy differences, binding energies per atom, and average atomic valencies are presented.

📜 SIMILAR VOLUMES

Shell structure and s—p hybridization in
Shell structure and s—p hybridization in small aluminum clusters
✍ G. Ganteför; W. Eberhardt 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 486 KB

Photoelectron spectra of Al; (n = 2-20) clusters are presented. Due to the improved energy resolution and the relatively high photon energy (hv= 6.424 eV, ArF laser radiation) available in our experiment the spectra reveal the mechanism of the onset of the s-p hybridization occuring in these particl

Electronic structure of small palladium
Electronic structure of small palladium and platinum clusters
✍ E. Miyoshi; Y. Sakai; S. Mori 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 431 KB

Electronic structures of Pd4 and P t4 clusters are studied using a model potential method in the Hartree-Fock-Xootha scheme. The lowest bound state of Pd4 is 'Bz ruising from (d'0)3d9s, while the ground state of A4 is 7B2, which comes from (ds#. Band structures of the clusters are compared with tllo

Structure and spin in small iron cluster
Structure and spin in small iron clusters
✍ P. Ballone; R.O. Jones 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 528 KB

Density functional calculations have been performed for iron clusters with up to seven atoms. The electron-ion interaction is treated by a pseudopotential, and the large effect of core electrons on the spin configuration by modifying the exchange-correlation function. The scheme allows us to perform