Structural, electronic and vibrational properties of Pb_nS_n (n=1-9) clusters using density-functional theory

DOI10.1016/J.PHYSLETA.2008.05.011MaRDI QIDQ716931zbMATH OpenOpenAlexFDO

Authors Huaizhong Xing, Shenglan Xu, Zongling Ding, Yan Huang, Xiaoshuang Chen, Jiqing Wang, Yu Shi

Publication date 27 September 2011

Published in Physics Letters. A (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.physleta.2008.05.011

zbMATH Keywords

density functional theoryIR spectraPbS clusters

Mathematics Subject Classification ID

Variational principles of physics (49S05) Classification and discrimination; cluster analysis (statistical aspects) (62H30) Molecular physics (81V55)

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(11)

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• First-principles study of the nature of small nickel sulfide particles
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• Structural, electronic, optical and thermodynamic properties of PbS, PbSe and their ternary alloy PbS\(_{1-x}\)Se\(_x\)
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• Reexamine structures and relative stability of medium-sized silicon clusters: low-lying endohedral fullerene-like clusters \(\text{Si}_{30}\)--\(\text{Si}_{38}\)
• Probing the structural and electronic properties of lanthanide-metal-doped silicon clusters: \(\text{M\@Si}_{6}\) (M = Pr, Gd, Ho)
• The density functional calculations of \(\text{In}_n\text{Sb}_n\) clusters (\(n\leq 16\))
• Molecular quantum similarity studies and molecular properties of the Tungsten intermediates \([\hbox{W}_6 \hbox{I}_{14}]^{2-}\) clusters

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