Residential College | false |
Status | 已發表Published |
H-stabilized shallow acceptors in N-doped ZnO | |
D. Y. Yong1; H. Y. He1; Z. K. Tang2,3; Su-Huai Wei4,5; B. C. Pan1 | |
2015-12-16 | |
Source Publication | Physical Review B - Condensed Matter and Materials Physics |
ISSN | 1550-235X |
Volume | 92Issue:23 |
Other Abstract | The origin of the p-type conductivity in N-doped ZnO has been a long standing puzzle for many years because isolated NO is considered to be a deep acceptor. Recently, the p-type doping has been attributed to the shallow acceptor NO−VZn complex that is supposedly being converted from a NZn−VO complex at the Zn-terminated surface [L. Liu et al., Phys. Rev. Lett. 108, 215501 (2012)]. By performing first-principles calculations, we demonstrate that the p-type NO−VZn pair is easy to form in bulk N-doped ZnO through the charge transfer and acceptor-acceptor level repulsion without the need of the special growth surface. More importantly, the NO−VZn pair can be further stabilized through hydrogenation, forming the more stable shallow acceptor complexes (NO−nH)−VZn (n=1−2) with an ionization energy of less than 162 meV, in good agreement with the experiment. These new shallow acceptor complexes are proposed to be responsible for the p-type conductivity of the N-doped ZnO. |
DOI | 10.1103/PhysRevB.92.235207 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Materials Science ; Physics |
WOS Subject | Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
WOS ID | WOS:000366494800005 |
Publisher | AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 |
Scopus ID | 2-s2.0-84950341484 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | B. C. Pan |
Affiliation | 1.Key Laboratory of Strongly-Coupled Quantum Matter Physics, Department of Physics and Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei 230026, Anhui, China 2.The Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macau, China 3.State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275, China 4.National Renewable Energy Laboratory, Golden, Colorado 80401, USA 5.Beijing Computational Science Research Center, Beijing 100094, China |
Recommended Citation GB/T 7714 | D. Y. Yong,H. Y. He,Z. K. Tang,et al. H-stabilized shallow acceptors in N-doped ZnO[J]. Physical Review B - Condensed Matter and Materials Physics, 2015, 92(23). |
APA | D. Y. Yong., H. Y. He., Z. K. Tang., Su-Huai Wei., & B. C. Pan (2015). H-stabilized shallow acceptors in N-doped ZnO. Physical Review B - Condensed Matter and Materials Physics, 92(23). |
MLA | D. Y. Yong,et al."H-stabilized shallow acceptors in N-doped ZnO".Physical Review B - Condensed Matter and Materials Physics 92.23(2015). |
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