Passivation of Deep Electronic States of Partial Dislocations in GaAs: A Theoretical Study

Lixin Zhang; W. E. McMahon; Su Huai Wei

doi:10.1063/1.3364140

Passivation of Deep Electronic States of Partial Dislocations in GaAs: A Theoretical Study

Lixin Zhang, W. E. McMahon, Su Huai Wei

Chemistry and Nanoscience

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27 Scopus Citations

Abstract

The structure and electronic properties of reconstructed cores of 90° partial dislocations in GaAs are studied using first-principles methods. We find that a double-period reconstruction is most stable for an As-core whereas a single-period reconstruction is most stable for a Ga-core. We show that As and Ga dimers induce detrimental deep electronic states. These deep levels can be partially removed by introducing passivating dopants that break dimers in the dislocation core.

Original language	American English
Article number	121912
Number of pages	3
Journal	Applied Physics Letters
Volume	96
Issue number	12
DOIs	https://doi.org/10.1063/1.3364140 https://doi.org/10.1063/1.3364140
State	Published - 2010

NREL Publication Number

NREL/JA-590-46868

Keywords

passivation
semiconductors
zincblende

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title = "Passivation of Deep Electronic States of Partial Dislocations in GaAs: A Theoretical Study",

abstract = "The structure and electronic properties of reconstructed cores of 90° partial dislocations in GaAs are studied using first-principles methods. We find that a double-period reconstruction is most stable for an As-core whereas a single-period reconstruction is most stable for a Ga-core. We show that As and Ga dimers induce detrimental deep electronic states. These deep levels can be partially removed by introducing passivating dopants that break dimers in the dislocation core.",

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AB - The structure and electronic properties of reconstructed cores of 90° partial dislocations in GaAs are studied using first-principles methods. We find that a double-period reconstruction is most stable for an As-core whereas a single-period reconstruction is most stable for a Ga-core. We show that As and Ga dimers induce detrimental deep electronic states. These deep levels can be partially removed by introducing passivating dopants that break dimers in the dislocation core.

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KW - semiconductors

KW - zincblende

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Passivation of Deep Electronic States of Partial Dislocations in GaAs: A Theoretical Study

Abstract

NREL Publication Number

Keywords

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