Valence Band Splittings and Band Offsets of AlN, GaN, and InN

doi:10.1063/1.117689

Valence Band Splittings and Band Offsets of AlN, GaN, and InN

NREL

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Abstract

First-principles electronic structure calculations on wurtzite AlN, GaN, and InN reveal crystal-field splitting parameters .delta. CF of -217, 42, and 41 meV, respectively, and spin-orbit splitting parameters .delta. 0 of 19, 13, and 1 meV, respectively. In the zinc blende structure .delta.CF.ident.0 and .delta. 0 are 19, 15, and 6 meV, respectively. The unstrained AlN/GaN, GaN/InN, and AlN/InNvalence band offsets for the wurtzite (zinc blende) materials are 0.81 (0.84), 0.48 (0.26), and 1.25 (1.04) eV, respectively. The trends in these spectroscopic quantities are discussed and recent experimental finds are analyzed in light of these predictions.

Original language	American English
Pages (from-to)	2719-2721
Number of pages	3
Journal	Applied Physics Letters
Volume	69
Issue number	18
DOIs	https://doi.org/10.1063/1.117689
State	Published - 1996

NLR Publication Number

NREL/JA-450-23056

Keywords

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10.1063/1.117689

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title = "Valence Band Splittings and Band Offsets of AlN, GaN, and InN",

abstract = "First-principles electronic structure calculations on wurtzite AlN, GaN, and InN reveal crystal-field splitting parameters .delta. CF of -217, 42, and 41 meV, respectively, and spin-orbit splitting parameters .delta. 0 of 19, 13, and 1 meV, respectively. In the zinc blende structure .delta.CF.ident.0 and .delta. 0 are 19, 15, and 6 meV, respectively. The unstrained AlN/GaN, GaN/InN, and AlN/InNvalence band offsets for the wurtzite (zinc blende) materials are 0.81 (0.84), 0.48 (0.26), and 1.25 (1.04) eV, respectively. The trends in these spectroscopic quantities are discussed and recent experimental finds are analyzed in light of these predictions.",

keywords = "EIADAS",

author = "NREL",

year = "1996",

doi = "10.1063/1.117689",

language = "American English",

volume = "69",

pages = "2719--2721",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

number = "18",

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TY - JOUR

T1 - Valence Band Splittings and Band Offsets of AlN, GaN, and InN

AU - NREL, null

PY - 1996

Y1 - 1996

N2 - First-principles electronic structure calculations on wurtzite AlN, GaN, and InN reveal crystal-field splitting parameters .delta. CF of -217, 42, and 41 meV, respectively, and spin-orbit splitting parameters .delta. 0 of 19, 13, and 1 meV, respectively. In the zinc blende structure .delta.CF.ident.0 and .delta. 0 are 19, 15, and 6 meV, respectively. The unstrained AlN/GaN, GaN/InN, and AlN/InNvalence band offsets for the wurtzite (zinc blende) materials are 0.81 (0.84), 0.48 (0.26), and 1.25 (1.04) eV, respectively. The trends in these spectroscopic quantities are discussed and recent experimental finds are analyzed in light of these predictions.

AB - First-principles electronic structure calculations on wurtzite AlN, GaN, and InN reveal crystal-field splitting parameters .delta. CF of -217, 42, and 41 meV, respectively, and spin-orbit splitting parameters .delta. 0 of 19, 13, and 1 meV, respectively. In the zinc blende structure .delta.CF.ident.0 and .delta. 0 are 19, 15, and 6 meV, respectively. The unstrained AlN/GaN, GaN/InN, and AlN/InNvalence band offsets for the wurtzite (zinc blende) materials are 0.81 (0.84), 0.48 (0.26), and 1.25 (1.04) eV, respectively. The trends in these spectroscopic quantities are discussed and recent experimental finds are analyzed in light of these predictions.

KW - EIADAS

U2 - 10.1063/1.117689

DO - 10.1063/1.117689

M3 - Article

SN - 0003-6951

VL - 69

SP - 2719

EP - 2721

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 18

ER -

Valence Band Splittings and Band Offsets of AlN, GaN, and InN

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