Residential College | false |
Status | 已發表Published |
Metastable interlayer Frenkel pair defects in black phosphorus | |
Kripalani, Devesh R.1,2; Cai, Yongqing3; Xue, Ming2; Zhou, Kun1 | |
2019-12-23 | |
Source Publication | PHYSICAL REVIEW B |
ISSN | 2469-9950 |
Volume | 100Issue:22Pages:224107 |
Abstract | The low formation energy of atomic vacancies in black phosphorus allows it to serve as an ideal prototypical system for exploring the dynamics of interlayer interstitial-vacancy (I-V) pairs (i.e., Frenkel defects) which account for Wigner energy release. Based on a few-layer model of black phosphorus, we conduct discrete geometry analysis and investigate the structural dynamics of intimate interlayer Frenkel pairs from first-principles calculations. We reveal a highly metastable I-V pair state driven by anisotropic dipolelike strain fields which can build strong connections between neighboring layers. In the two-dimensional limit (monolayer), the intimate I-V pair exhibits a relatively low formation energy of 1.54 eV and is energetically favored over its isolated constituents by up to 1.68 eV. The barrier for annihilation of the Frenkel pair is 1.46 eV in the bilayer, which is remarkably higher than that of similar defects in graphite. The findings reported in this work suggest that there exist rich bridging pathways in black phosphorus, leading to stable dimensional reduction and structural condensation on exposure to moderate electron excitation or thermal annealing. This study paves the way for creating novel dimensional-hybrid polymorphs of phosphorus via the introduction of such metastable interlayer I-V pair defects. |
DOI | 10.1103/PhysRevB.100.224107 |
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:000504435500002 |
Publisher | AMER PHYSICAL SOCONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 |
Scopus ID | 2-s2.0-85077496912 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Cai, Yongqing; Zhou, Kun |
Affiliation | 1.School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore, 639798, Singapore 2.Infineon Technologies Asia Pacific Pte Ltd, Singapore, 349282, Singapore 3.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macao |
Corresponding Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Recommended Citation GB/T 7714 | Kripalani, Devesh R.,Cai, Yongqing,Xue, Ming,et al. Metastable interlayer Frenkel pair defects in black phosphorus[J]. PHYSICAL REVIEW B, 2019, 100(22), 224107. |
APA | Kripalani, Devesh R.., Cai, Yongqing., Xue, Ming., & Zhou, Kun (2019). Metastable interlayer Frenkel pair defects in black phosphorus. PHYSICAL REVIEW B, 100(22), 224107. |
MLA | Kripalani, Devesh R.,et al."Metastable interlayer Frenkel pair defects in black phosphorus".PHYSICAL REVIEW B 100.22(2019):224107. |
Files in This Item: | There are no files associated with this item. |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment