Surface buckling of black phosphorus: Determination, origin, and influence on electronic structure

Dai, Zhongwei; Jin, Wencan; Yu, Jie-Xiang; Grady, Maxwell; Sadowski, Jerzy T.; Kim, Young Duck; Hone, James; Dadap, Jerry I.; Zang, Jiadong; Osgood, Richard M.; Pohl, Karsten

doi:10.1103/PhysRevMaterials.1.074003

Title: Surface buckling of black phosphorus: Determination, origin, and influence on electronic structure

Journal Article · Fri Dec 29 00:00:00 EST 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.1.074003· OSTI ID:1425024

Dai, Zhongwei ^[1]; Jin, Wencan ^[2]; Yu, Jie-Xiang ^[1]; Grady, Maxwell ^[1]; Sadowski, Jerzy T. ^[3]; Kim, Young Duck ^[2]; Hone, James ^[2]; Dadap, Jerry I. ^[2]; Zang, Jiadong ^[1]; Osgood, Richard M. ^[2]; Pohl, Karsten ^[1]

Univ. of New Hampshire, Durham, NH (United States)
Columbia Univ., New York, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

The surface structure of black phosphorus materials is determined using surface-sensitive dynamical microspot low energy electron diffraction ( μ LEED ) analysis using a high spatial resolution low energy electron microscopy (LEEM) system. Samples of (i) crystalline cleaved black phosphorus (BP) at 300 K and (ii) exfoliated few-layer phosphorene (FLP) of about 10 nm thickness which were annealed at 573 K in vacuum were studied. In both samples, a significant surface buckling of 0.22 Å and 0.30 Å, respectively, is measured, which is one order of magnitude larger than previously reported. As direct evidence for large buckling, we observe a set of (for the flat surface forbidden) diffraction spots. Using first-principles calculations, we find that the presence of surface vacancies is responsible for the surface buckling in both BP and FLP, and is related to the intrinsic hole doping of phosphoresce materials previously reported.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704; FG 02-04-ER-46157; SC0016424

OSTI ID:: 1425024

Alternate ID(s):: OSTI ID: 1416443

Report Number(s):: BNL-200011-2018-JAAM; PRMHAR; TRN: US1802006

Journal Information:: Physical Review Materials, Vol. 1, Issue 7; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 14 works

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