Charge defects glowing in the dark

Bin Deng; Laurence D. Marks; James M. Rondinelli

doi:10.1016/j.ultramic.2006.10.001

Charge defects glowing in the dark

Bin Deng^*, Laurence D. Marks, James M. Rondinelli

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

We investigate the effects of local charge defects in HREM imaging, using electron densities calculated by density functional methods. As a model of a planar interface with a local charge defect we use the polar MgO (1 1 1)-sqrt(3) × sqrt(3)R30° surface, which has an additional hole per surface unit cell. A complimentary example, the non-polar MgO (1 0 0) surface that has no local charge defect is simulated for comparison. We show that the contrast due to local charge defects is rather high, and suggest that they should be directly observable.

Original language	English (US)
Pages (from-to)	374-381
Number of pages	8
Journal	Ultramicroscopy
Volume	107
Issue number	4-5
DOIs	https://doi.org/10.1016/j.ultramic.2006.10.001
State	Published - Apr 2007

Funding

This work was supported by the DOE on Grant No. DE-FG02-01ER45945/A006.

Keywords

Charge defects
Charge density
Charge transfer
HREM
Structure factors

ASJC Scopus subject areas

General Materials Science
Instrumentation

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10.1016/j.ultramic.2006.10.001

Cite this

@article{ee50832485a843c4ba61cfd4632585cd,

title = "Charge defects glowing in the dark",

abstract = "We investigate the effects of local charge defects in HREM imaging, using electron densities calculated by density functional methods. As a model of a planar interface with a local charge defect we use the polar MgO (1 1 1)-sqrt(3) × sqrt(3)R30° surface, which has an additional hole per surface unit cell. A complimentary example, the non-polar MgO (1 0 0) surface that has no local charge defect is simulated for comparison. We show that the contrast due to local charge defects is rather high, and suggest that they should be directly observable.",

keywords = "Charge defects, Charge density, Charge transfer, HREM, Structure factors",

author = "Bin Deng and Marks, \{Laurence D.\} and Rondinelli, \{James M.\}",

note = "Funding Information: This work was supported by the DOE on Grant No. DE-FG02-01ER45945/A006. ",

year = "2007",

month = apr,

doi = "10.1016/j.ultramic.2006.10.001",

language = "English (US)",

volume = "107",

pages = "374--381",

journal = "Ultramicroscopy",

issn = "0304-3991",

publisher = "Elsevier B.V.",

number = "4-5",

}

TY - JOUR

T1 - Charge defects glowing in the dark

AU - Deng, Bin

AU - Marks, Laurence D.

AU - Rondinelli, James M.

N1 - Funding Information: This work was supported by the DOE on Grant No. DE-FG02-01ER45945/A006.

PY - 2007/4

Y1 - 2007/4

N2 - We investigate the effects of local charge defects in HREM imaging, using electron densities calculated by density functional methods. As a model of a planar interface with a local charge defect we use the polar MgO (1 1 1)-sqrt(3) × sqrt(3)R30° surface, which has an additional hole per surface unit cell. A complimentary example, the non-polar MgO (1 0 0) surface that has no local charge defect is simulated for comparison. We show that the contrast due to local charge defects is rather high, and suggest that they should be directly observable.

AB - We investigate the effects of local charge defects in HREM imaging, using electron densities calculated by density functional methods. As a model of a planar interface with a local charge defect we use the polar MgO (1 1 1)-sqrt(3) × sqrt(3)R30° surface, which has an additional hole per surface unit cell. A complimentary example, the non-polar MgO (1 0 0) surface that has no local charge defect is simulated for comparison. We show that the contrast due to local charge defects is rather high, and suggest that they should be directly observable.

KW - Charge defects

KW - Charge density

KW - Charge transfer

KW - HREM

KW - Structure factors

UR - https://www.scopus.com/pages/publications/33846371883

UR - https://www.scopus.com/inward/citedby.url?scp=33846371883&partnerID=8YFLogxK

U2 - 10.1016/j.ultramic.2006.10.001

DO - 10.1016/j.ultramic.2006.10.001

M3 - Article

C2 - 17129673

AN - SCOPUS:33846371883

SN - 0304-3991

VL - 107

SP - 374

EP - 381

JO - Ultramicroscopy

JF - Ultramicroscopy

IS - 4-5

ER -

Charge defects glowing in the dark

Abstract

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Keywords

ASJC Scopus subject areas

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