Structural assignment, and electronic and magnetic properties of lanthanide metal doped silicon heptamers Si7M0/− with M = Pr, Gd and Ho

Author:

Hang Tran Dieu1234,Hung Huynh Minh1234,Nguyen Minh Tho1234

Affiliation:

1. Department of Chemistry

2. KU Leuven

3. B-3001 Leuven

4. Belgium

Abstract

The ground state geometries of neutral and anionic lanthanide-metal-doped silicon clusters Si7M0/− with M = Pr, Gd and Ho were determined by quantum chemical (DFT) computations and the previous experimental photoelectron spectra were assigned.

Funder

Onderzoeksraad, KU Leuven

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference73 articles.

1. K. D. Sattler , Handbook of Nanophysics: Clusters and Fullerenes, CRC Press, London, UK, 2011

2. Structures of medium-sized silicon clusters

3. V. Kumar , Nanosilicon, Elsevier, The Netherlands, 2008

4. Vibrational spectroscopy of neutral silicon clusters via far-IR-VUV two color ionization

5. Raman spectra of size-selected silicon clusters and comparison with calculated structures

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