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First-principles calculation of electronic structure and magnetic properties of copper adsorbed polar-ZnO surface
- Authors
- Kim, Yoon-Suk; Chung, Yong-Chae
- Issue Date
- Nov-2007
- Publisher
- A V S AMER INST PHYSICS
- Citation
- JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, v.25, no.6, pp.2616 - 2618
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B
- Volume
- 25
- Number
- 6
- Start Page
- 2616
- End Page
- 2618
- ISSN
- 1071-1023
- Abstract
- The electronic structure and magnetic properties of a Cu adsorbed polar-ZnO surface system were investigated using the ab initio projector-augmented-wave method. It is found that the H-3 site is the most stable adsorption site of Cu adsorbed polar-ZnO surfaces with stable ferromagnetism. The Zn-terminated ZnO:Cu surface system (H-3 site adsorption) is predicted to have a half-metallic property and stable ferromagnetism of 0.72 mu(B) magnetic moments.
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Related Researcher
- Chung, Yong Chae
- COLLEGE OF ENGINEERING (SCHOOL OF MATERIALS SCIENCE AND ENGINEERING)