Probing the properties of size dependence and correlation for tantalum clusters: geometry, stability, vibrational spectra, magnetism, and electronic structure-Reference-Cited by-同舟云学术

Probing the properties of size dependence and correlation for tantalum clusters: geometry, stability, vibrational spectra, magnetism, and electronic structure

Published:2019 Issue:2 Volume:9 Page:1015-1028
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Li Xibo¹²³⁴⁵^ORCID,Chen Yuqi⁶⁷⁸⁵,Basnet Pradip⁹¹⁰¹¹¹²^ORCID,Luo Jiangshan¹²³⁴⁵,Wang Hongyan⁶⁷⁸⁵

Affiliation:

1. Science and Technology on Plasma Physics Laboratory

2. Laser Fusion Research Center

3. China Academy of Engineering Physics

4. Mianyang

5. China

6. School of Physical Science and Technology

7. Southwest Jiaotong University

8. Chengdu

9. School of Materials Science and Engineering

10. Georgia Institute of Technology

11. Atlanta

12. USA

Abstract

A comprehensive investigation on the equilibrium geometry, relative stability, vibrational spectra, and magnetic and electronic properties of neutral tantalum clusters (Ta_n, n = 2–17) was performed using density functional theory (DFT).

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C8RA09240K

Reference67 articles.

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2. K. D.Sattler , Handbook of Nanophysics: Clusters and Fullerenes , CRC Press , FL, US , 2011

3. W.Chen and S.Chen , Functional Nanometer-Sized Clusters of Transition Metals: Synthesis, Properties and Applications , The Royal Society of Chemistry , Cambridge, UK , 2014