A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models

Oliver Marquardt; Stefan Schulz; Eoin P. O'Reilly; Christoph Freysoldt; Sixten Boeck; Tilmann Hickel; Jörg Neugebauer

doi:10.1109/NUSOD.2011.6041165

A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models

Oliver Marquardt
, Stefan Schulz
, Eoin P. O'Reilly
, Christoph Freysoldt
, Sixten Boeck
, Tilmann Hickel
, Jörg Neugebauer

Research output: Chapter in Book/Report/Conference proceedings › Chapter › peer-review

Abstract

We present a highly flexible, plane-wave based formulation of continuum elasticity and multiband k·p-formalism to study the elastic and electronic properties of semiconductor nanostructures. This approach has been implemented in the framework of the density functional theory (DFT) software library S/Phi/nX [1] and allows the investigation of arbitrary-shaped nanostructures such as quantum wells, wires and dots consisting of various materials. Moreover, our approach grants the flexibility to employ user-generated k·p Hamiltonians suited to the requirements of the study regarding accuracy and computational costs.

Original language	English
Title of host publication	11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011
Pages	111-112
Number of pages	2
DOIs	https://doi.org/10.1109/NUSOD.2011.6041165
Publication status	Published - 2011
Event	11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011 - Rome, Italy Duration: 5 Sep 2011 → 8 Sep 2011

Publication series

Name	Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD
ISSN (Print)	2158-3234

Conference

Conference	11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011
Country/Territory	Italy
City	Rome
Period	5/09/11 → 8/09/11

Access to Document

10.1109/NUSOD.2011.6041165

Cite this

Marquardt, O., Schulz, S., O'Reilly, E. P., Freysoldt, C., Boeck, S., Hickel, T., & Neugebauer, J. (2011). A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models. In 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011 (pp. 111-112). Article 6041165 (Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD). https://doi.org/10.1109/NUSOD.2011.6041165

Marquardt, Oliver ; Schulz, Stefan ; O'Reilly, Eoin P. et al. / A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models. 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011. 2011. pp. 111-112 (Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD).

@inbook{ff8edba1e5c94023b296991fb43eb596,

title = "A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models",

abstract = "We present a highly flexible, plane-wave based formulation of continuum elasticity and multiband k·p-formalism to study the elastic and electronic properties of semiconductor nanostructures. This approach has been implemented in the framework of the density functional theory (DFT) software library S/Phi/nX [1] and allows the investigation of arbitrary-shaped nanostructures such as quantum wells, wires and dots consisting of various materials. Moreover, our approach grants the flexibility to employ user-generated k·p Hamiltonians suited to the requirements of the study regarding accuracy and computational costs.",

author = "Oliver Marquardt and Stefan Schulz and O'Reilly, \{Eoin P.\} and Christoph Freysoldt and Sixten Boeck and Tilmann Hickel and J{\"o}rg Neugebauer",

year = "2011",

doi = "10.1109/NUSOD.2011.6041165",

language = "English",

isbn = "9781612848785",

series = "Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD",

pages = "111--112",

booktitle = "11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011",

note = "11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011 ; Conference date: 05-09-2011 Through 08-09-2011",

}

Marquardt, O, Schulz, S, O'Reilly, EP, Freysoldt, C, Boeck, S, Hickel, T & Neugebauer, J 2011, A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models. in 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011., 6041165, Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD, pp. 111-112, 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011, Rome, Italy, 5/09/11. https://doi.org/10.1109/NUSOD.2011.6041165

A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models. / Marquardt, Oliver; Schulz, Stefan; O'Reilly, Eoin P. et al.
11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011. 2011. p. 111-112 6041165 (Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD).

Research output: Chapter in Book/Report/Conference proceedings › Chapter › peer-review

TY - CHAP

T1 - A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models

AU - Marquardt, Oliver

AU - Schulz, Stefan

AU - O'Reilly, Eoin P.

AU - Freysoldt, Christoph

AU - Boeck, Sixten

AU - Hickel, Tilmann

AU - Neugebauer, Jörg

PY - 2011

Y1 - 2011

N2 - We present a highly flexible, plane-wave based formulation of continuum elasticity and multiband k·p-formalism to study the elastic and electronic properties of semiconductor nanostructures. This approach has been implemented in the framework of the density functional theory (DFT) software library S/Phi/nX [1] and allows the investigation of arbitrary-shaped nanostructures such as quantum wells, wires and dots consisting of various materials. Moreover, our approach grants the flexibility to employ user-generated k·p Hamiltonians suited to the requirements of the study regarding accuracy and computational costs.

AB - We present a highly flexible, plane-wave based formulation of continuum elasticity and multiband k·p-formalism to study the elastic and electronic properties of semiconductor nanostructures. This approach has been implemented in the framework of the density functional theory (DFT) software library S/Phi/nX [1] and allows the investigation of arbitrary-shaped nanostructures such as quantum wells, wires and dots consisting of various materials. Moreover, our approach grants the flexibility to employ user-generated k·p Hamiltonians suited to the requirements of the study regarding accuracy and computational costs.

UR - https://www.scopus.com/pages/publications/80054922203

U2 - 10.1109/NUSOD.2011.6041165

DO - 10.1109/NUSOD.2011.6041165

M3 - Chapter

AN - SCOPUS:80054922203

SN - 9781612848785

T3 - Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD

SP - 111

EP - 112

BT - 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011

T2 - 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011

Y2 - 5 September 2011 through 8 September 2011

ER -

Marquardt O, Schulz S, O'Reilly EP, Freysoldt C, Boeck S, Hickel T et al. A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models. In 11th International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD 2011. 2011. p. 111-112. 6041165. (Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD). doi: 10.1109/NUSOD.2011.6041165

A flexible, plane-wave-based formulation of continuum elasticity and multiband k·p models

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