Comparison of wurtzite atomistic and piezoelectric continuum strain models: Implications for the electronic band structure

D. Barettin; S. Madsen; B. Lassen; Morten Willatzen

doi:10.1016/j.spmi.2009.10.002

Comparison of wurtzite atomistic and piezoelectric continuum strain models: Implications for the electronic band structure

D. Barettin, S. Madsen, B. Lassen, Morten Willatzen

Research output: Contribution to journal › Conference article › Research › peer-review

Abstract

We compare continuum and atomistic models for the electromechanical fields in wurtzite GaN/AlN quantum dots and their relative impact on the electronic band structure. Qualitative agreement between atomistic strain calculations and continuum elastic models for a wurtzite hexagonal quantum-dot structure is demonstrated; however, significant quantitative discrepancies of up to 100 meV are observed. A smaller difference of approximately 15 meV is found between fully coupled and semi-coupled continuum models.

Original language	English
Journal	Superlattices and Microstructures
Volume	47
Issue number	1
Pages (from-to)	134-138
ISSN	0749-6036
DOIs	https://doi.org/10.1016/j.spmi.2009.10.002
Publication status	Published - 2010
Externally published	Yes
Event	9th International Conference on Physics of Light-Matter Coupling in Nanostructures (PLMCN 2009) - Lecce , Italy Duration: 1 Jan 2009 → … Conference number: 9

Conference

Conference	9th International Conference on Physics of Light-Matter Coupling in Nanostructures (PLMCN 2009)
Number	9
Country	Italy
City	Lecce
Period	01/01/2009 → …

Keywords

Wurtzite
Piezoelectric
Continuum
Valence force field
Electronic band structure

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Cite this

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title = "Comparison of wurtzite atomistic and piezoelectric continuum strain models: Implications for the electronic band structure",

abstract = "We compare continuum and atomistic models for the electromechanical fields in wurtzite GaN/AlN quantum dots and their relative impact on the electronic band structure. Qualitative agreement between atomistic strain calculations and continuum elastic models for a wurtzite hexagonal quantum-dot structure is demonstrated; however, significant quantitative discrepancies of up to 100 meV are observed. A smaller difference of approximately 15 meV is found between fully coupled and semi-coupled continuum models.",

keywords = "Wurtzite, Piezoelectric, Continuum, Valence force field, Electronic band structure",

author = "D. Barettin and S. Madsen and B. Lassen and Morten Willatzen",

year = "2010",

doi = "10.1016/j.spmi.2009.10.002",

language = "English",

volume = "47",

pages = "134--138",

journal = "Superlattices and Microstructures",

issn = "0749-6036",

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note = "9th International Conference on Physics of Light-Matter Coupling in Nanostructures (PLMCN 2009), PLMCN 2009 ; Conference date: 01-01-2009",

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T1 - Comparison of wurtzite atomistic and piezoelectric continuum strain models

T2 - 9th International Conference on Physics of Light-Matter Coupling in Nanostructures (PLMCN 2009)

AU - Barettin, D.

AU - Madsen, S.

AU - Lassen, B.

AU - Willatzen, Morten

N1 - Conference code: 9

PY - 2010

Y1 - 2010

N2 - We compare continuum and atomistic models for the electromechanical fields in wurtzite GaN/AlN quantum dots and their relative impact on the electronic band structure. Qualitative agreement between atomistic strain calculations and continuum elastic models for a wurtzite hexagonal quantum-dot structure is demonstrated; however, significant quantitative discrepancies of up to 100 meV are observed. A smaller difference of approximately 15 meV is found between fully coupled and semi-coupled continuum models.

AB - We compare continuum and atomistic models for the electromechanical fields in wurtzite GaN/AlN quantum dots and their relative impact on the electronic band structure. Qualitative agreement between atomistic strain calculations and continuum elastic models for a wurtzite hexagonal quantum-dot structure is demonstrated; however, significant quantitative discrepancies of up to 100 meV are observed. A smaller difference of approximately 15 meV is found between fully coupled and semi-coupled continuum models.

KW - Wurtzite

KW - Piezoelectric

KW - Continuum

KW - Valence force field

KW - Electronic band structure

U2 - 10.1016/j.spmi.2009.10.002

DO - 10.1016/j.spmi.2009.10.002

M3 - Conference article

VL - 47

SP - 134

EP - 138

JO - Superlattices and Microstructures

JF - Superlattices and Microstructures

SN - 0749-6036

IS - 1

Y2 - 1 January 2009

ER -