Actinide elements and germanium: a first-principles density functional theory investigation of the electronic and magnetic properties of ApGe (Ap = Ac

Actinide elements and germanium: a first-principles density functional theory investigation of the electronic and magnetic properties of ApGe (Ap = Ac–Lr) diatoms

Published:2014 Issue:103 Volume:4 Page:59331-59337
ISSN:2046-2069
Container-title:RSC Adv.
language:en
Short-container-title:RSC Adv.

Author:

Zhao Run-Ning¹²³,Yuan Yanhong¹²³,Han Ju-Guang⁴⁵⁶,Duan Yuhua⁷⁸⁹¹⁰

Affiliation:

1. Institute of Applied Mathematics and Physics

2. Shanghai DianJi University

3. Shanghai 201306, People's Republic of China

4. National Synchrotron Radiation Laboratory

5. University of Science and Technology of China

6. Hefei 230029, People's Republic of China

7. US Department of Energy

8. National Energy Technology Laboratory

9. Parsons Project Services Inc.

10. Pittsburgh, USA

Abstract

The geometry and electronic and magnetic properties of ApGe (Ap = Ac–Lr) diatoms have been studied using first-principles density functional theory, with relativistic effects being taken into account.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2014/RA/C4RA09677K

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