Magnetic and electronic structural properties of the GdGa7N8 cluster

Yanbian Fang; Bofan Zhou; Yan Huang; Yijie Zeng; Aijiang Lu; Chunrui Wang; Binhe Wu; Xiaofeng Xu; Huaizhong Xing

doi:10.1117/12.2053221

16 December 2013 Magnetic and electronic structural properties of the GdGa₇N₈ cluster

Yanbian Fang, Bofan Zhou, Yan Huang, Yijie Zeng, Aijiang Lu, Chunrui Wang, Binhe Wu, Xiaofeng Xu, Huaizhong Xing

Author Affiliations +

Proceedings Volume 9068, Eighth International Conference on Thin Film Physics and Applications; 90680E (2013) https://doi.org/10.1117/12.2053221
Event: Eighth International Conference on Thin Film Physics and Applications (TFPA13), 2013, Shanghai, China

Abstract

Geometric optimizations and calculations of GdGa₇N₈ cluster were performed by a DMoL program using spin-polarized density functional theory (DFT). The binding energy, HOMO-LUMO gap, Mulliken charge and bonding characteristics were computed and analyzed. It is found that the Gadolinium substituting the Gallium would make the bonds between itself and neighboring atoms longer than that of the undoped cluster. The magnetic moment of GdGa₇N₈ was found to be 7 μB. And most of the magnetic moment was focused on the Gd atom owing to its half-filled 4f-shell.

Citation Download Citation

Yanbian Fang, Bofan Zhou, Yan Huang, Yijie Zeng, Aijiang Lu, Chunrui Wang, Binhe Wu, Xiaofeng Xu, and Huaizhong Xing "Magnetic and electronic structural properties of the GdGa₇N₈ cluster", Proc. SPIE 9068, Eighth International Conference on Thin Film Physics and Applications, 90680E (16 December 2013); https://doi.org/10.1117/12.2053221

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

;

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE