Deriving k·p parameters from full-Brillouin-zone descriptions: A finite-element envelope function model for quantum-confined wurtzite nanostructures

Journal Article · Mon Jul 21 00:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4890585· OSTI ID:22308914

Zhou, Xiangyu; Ghione, Giovanni ^[1]; Bertazzi, Francesco; Goano, Michele ^[1]; Bellotti, Enrico ^[2]

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1. Dipartimento di Elettronica e Telecomunicazioni, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino (Italy)
2. Department of Electrical and Computer Engineering, Boston University, 8 Saint Mary's Street, Boston, Massachusetts 02215 (United States)

We present a multiband envelope-function model for wurtzite nanostructures based on a rigorous numerical procedure to determine operator ordering and band parameters from nonlocal empirical pseudopotential calculations. The proposed approach, implemented within a finite-element scheme, leads to well-posed, numerically stable envelope equations that accurately reproduce full-Brillouin-zone subband dispersions of quantum systems. Although demonstrated here for III-nitride nonlocal empirical pseudopotentials, the model provides a general theoretical framework applicable to ab initio electronic structures of wurtzite semiconductors.

• OSTI ID: 22308914
• Journal Information: Journal of Applied Physics, Vol. 116, Issue 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
BRILLOUIN ZONES
COMPUTERIZED SIMULATION
DISPERSIONS
ELECTRONIC STRUCTURE
FINITE ELEMENT METHOD
NANOSTRUCTURES
SEMICONDUCTOR MATERIALS