Electronic states in valence and conduction bands of group-III nitrides: Experiment and theory

Journal Article · Thu Jun 15 04:00:00 EDT 2000 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.61.16623· OSTI ID:20216880

Lawniczak-Jablonska, K ^[1]; Suski, T ^[2]; Gorczyca, I ^[2]; Christensen, N E ^[3]; Attenkofer, K E ^[4]; Perera, R C. C. ^[5]; Gullikson, E M ^[5]; Underwood, J H ^[5]; Ederer, D L ^[6]; Liliental Weber, Z ^[7]

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1. Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw, (Poland)
2. High Pressure Research Center, Polish Academy of Sciences, ulica Sokolowska 29/37, 01 142 Warsaw, (Poland)
3. Institute of Physics and Astronomy, Aarhus University, C8000 Aarhus, (Denmark)
4. HASYLAB, DESY, Notkestrasse 85, 22603 Hamburg, (Germany)
5. Center for X-ray Optics, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
6. Tulane University, New Orleans, Louisiana 70118 (United States)
7. Lawrence Berkeley National Laboratory, MIS 6212031 Berkeley, California 94720 (United States)

A comprehensive study of the electronic structure of group-III nitrides (AlN, GaN, InN, and BN) crystallizing in the wurtzite, zinc-blende, and graphitelike hexagonal (BN) structures is presented. A large set of the x-ray emission and absorption spectra was collected at the several synchrotron radiation facilities at installations offering the highest possible energy resolution. By taking advantage of the linear polarization of the synchrotron radiation and making careful crystallographic orientation of the samples, the bonds along c axis ({pi}) and ''in plane'' ({sigma}) in the wurtzite structure could be separately examined. Particularly for AlN we found pronounced anisotropy of the studied bonds. The experimental spectra are compared directly with ab initio calculations of the partial density of states projected on the cation and anion atomic sites. For the GaN, AlN, and InN the agreement between structures observed in the calculated density of states (DOS) and structures observed in the experimental spectra is very good. In the case of hexagonal BN we have found an important influence of insufficient core screening in the x-ray spectra that influences the DOS distribution. The ionicity of the considered nitrides is also discussed. (c) 2000 The American Physical Society.

• OSTI ID: 20216880
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 24 Vol. 61; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ABSORPTION SPECTRA
ALUMINIUM NITRIDES
ANISOTROPY
BORON NITRIDES
CHEMICAL BONDS
ELECTRONIC STRUCTURE
ENERGY-LEVEL DENSITY
EXPERIMENTAL DATA
GALLIUM NITRIDES
INDIUM NITRIDES
SYNCHROTRON RADIATION
THEORETICAL DATA
X-RAY EMISSION ANALYSIS