✦ LIBER ✦

Study of aluminum-doped silicon clusters

✍ Scribed by Shi-chang Zhan; Bao-xing Li; Jian-song Yang

Publisher: Elsevier Science
Year: 2007
Tongue: English
Weight: 297 KB
Volume: 387
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2006.04.031

No coin nor oath required. For personal study only.

✦ Synopsis

Using full-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the effect of aluminum heteroatoms on the geometric structures and bond characteristics of Si n (n ¼ 5-10) clusters in detail. It is found that the geometric framework of the ground state structures for Si n (n ¼ 5-10) clusters change to some extent upon the substitution of Al atoms in some Si atoms. The effect of aluminum doping on the silicon clusters depends on the geometric structures of Si n (n ¼ 5-10) clusters. In particular, the calculations suggest that the aluminum doping would improve the bond strength of some Si-Si bonds in the mixed Si nÀm Al m clusters.

📜 SIMILAR VOLUMES

A computational study of silicon-doped a

A computational study of silicon-doped aluminum phosphide nanotubes

✍ Maryam Mirzaei; Azadeh Aezami; Mahmoud Mirzaei 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 308 KB

Doping of silicon clusters

✍ Karl Jug; Matthias Krack; Hans-Jürgen Nolte 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 406 KB

The influence of doping with acceptor atoms boron and aluminum and donor atoms nitrogen and phosphorus on silicon clusters as a model for semiconductors is investigated by semiempirical calculations with the MO method SINDO 1. The series XSi.,, XSi16, XS& and XSi3, is compared for X =Si, B, Al, N, P

Doping of saturated silicon clusters

✍ Matthias Krack; Thomas Bredow; Karl Jug 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 368 KB

The effect of the doping of silicon is studied with model clusters YSi4Xl2 and YSi34X36 for Y = Si, B, N, AI and P and pseudoatoms X which serve to saturate the structures. SINDO1 calculations are performed at the ROHF level. From the trend for the valence of the central atom Y for the cationic, neu

Thermal donor formation in aluminum dope

Thermal donor formation in aluminum doped silicon

✍ J.L. Lindström; T. Hallberg 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 312 KB

ChemInform Abstract: Structures of Silic

ChemInform Abstract: Structures of Silicon-Doped Carbon Clusters.

✍ J. L. FYE; M. F. JARROLD 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 25 KB 👁 2 views

Structure and properties of small silico

Structure and properties of small silicon and aluminum clusters

✍ Karl Jug; Hans-Peter Schluff; Hans Kupka; Rüdiger Iffert 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 554 KB

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