Physical Review B, volume 37, issue 11, pages 6417-6424
Cleavage faces of wurtzite CdS and CdSe: Surface relaxation and electronic structure
1
Xerox Webster Research Center, 0114-38D, 800 Phillips Road, Webster, New York 14580
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Publication type: Journal Article
Publication date: 1988-04-15
Journal:
Physical Review B
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
Abstract
The atomic geometries and electronic structures of the cleavage faces, (101\ifmmode\bar\else\textasciimacron\fi{}0) and (112\ifmmode\bar\else\textasciimacron\fi{}0), of wurtzite-structure CdS and CdSe are calculated using an ${\mathrm{sp}}^{3}$ tight-binding model. The model is validated by comparison with bulk optical and x-ray photoemission data. The perpendicular displacement of the top-layer anion relative to the corresponding cation, ${\ensuremath{\Delta}}_{1}$,\ensuremath{\perp}, is predicted to be 0.72 A\r{} (CdS) and 0.77 A\r{} (CdSe) for the (101\ifmmode\bar\else\textasciimacron\fi{}0) surfaces, and 0.68 A\r{} (CdS) and 0.71 A\r{} (CdSe) for the (112\ifmmode\bar\else\textasciimacron\fi{}0) surfaces. The model also predicts a surface state near the top of the valence band, as well as at least four additional surface states and resonances lying within the valence band for both surfaces. Both the surface reconstructions and surface states are analogous to those predicted for other wurtzite-structure compound semiconductors. The values of ${\ensuremath{\Delta}}_{1}$,\ensuremath{\perp} are shown to scale linearly with the bulk lattice constant just as for the (110) surfaces of zinc-blende-structure materials.
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5
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Citations by publishers
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1 publication, 0.93%
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Optical Society of America
1 publication, 0.93%
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5
10
15
20
25
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Wang Y., Wang Yu., Duke C. Cleavage faces of wurtzite CdS and CdSe: Surface relaxation and electronic structure // Physical Review B. 1988. Vol. 37. No. 11. pp. 6417-6424.
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Wang Y., Wang Yu., Duke C. Cleavage faces of wurtzite CdS and CdSe: Surface relaxation and electronic structure // Physical Review B. 1988. Vol. 37. No. 11. pp. 6417-6424.
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TY - JOUR
DO - 10.1103/physrevb.37.6417
UR - https://doi.org/10.1103/physrevb.37.6417
TI - Cleavage faces of wurtzite CdS and CdSe: Surface relaxation and electronic structure
T2 - Physical Review B
AU - Wang, Y.‐R.
AU - Duke, C.B.
AU - Wang, Yu
PY - 1988
DA - 1988/04/15 00:00:00
PB - American Physical Society (APS)
SP - 6417-6424
IS - 11
VL - 37
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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@article{1988_Wang,
author = {Y.‐R. Wang and C.B. Duke and Yu Wang},
title = {Cleavage faces of wurtzite CdS and CdSe: Surface relaxation and electronic structure},
journal = {Physical Review B},
year = {1988},
volume = {37},
publisher = {American Physical Society (APS)},
month = {apr},
url = {https://doi.org/10.1103/physrevb.37.6417},
number = {11},
pages = {6417--6424},
doi = {10.1103/physrevb.37.6417}
}
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Wang, Y.‐R., et al. “Cleavage faces of wurtzite CdS and CdSe: Surface relaxation and electronic structure.” Physical Review B, vol. 37, no. 11, Apr. 1988, pp. 6417-6424. https://doi.org/10.1103/physrevb.37.6417.