Citation

Ong, Duu Sheng and Lim, Thong Leng and Rusi, Rusi and Yoon, Tiem Leong and Yeoh, Keat Hoe (2019) Monolayer GaN functionalized with alkali metal and alkaline earth metal atoms: A first-principles study. Superlattices and Microstructures, 130. pp. 428-436. ISSN 0749-6036

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Abstract

Based on first-principles calculations, we have carried out a systematic study on the geometric, electronic and magnetic properties of free-standing monolayer GaN (ML GaN) functionalized with Lithium (Li), Sodium (Na), Beryllium (Be) or Calcium (Ca) atoms. We consider three different levels of concentrations i.e. , and . Within the tested, metallization of ML GaN only occurs with the adsorption of Li or Na atoms. The adsorption of Be or Ca atoms preserves the semiconducting characteristics of ML GaN. The ML GaN remains non-magnetic with the adsorption of Be or Ca atom. In contrast, the total magnetization of the Li-adsorbed ML GaN decreases as Li atoms concentration increases. For the case of Na adsorption, the ML GaN exhibits ferromagnetism only at . In addition, we found the work function of the functionalized ML GaN can be controlled by varying the concentrations of the adatoms. Our findings here suggest that by selective adsorption of Group I and Group II element, ML GaN is a promising material for the development of spintronic and field emission devices.

Item Type:	Article
Uncontrolled Keywords:	Alkali metal
Subjects:	T Technology > TN Mining engineering. Metallurgy > TN600-799 Metallurgy
Divisions:	Faculty of Engineering and Technology (FET)
Depositing User:	Ms Suzilawati Abu Samah
Date Deposited:	09 Mar 2022 01:41
Last Modified:	09 Mar 2022 01:41
URII:	http://shdl.mmu.edu.my/id/eprint/9258

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