๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Schottky Barrier Height in GaN/Al Junctions: an ab-initio Study

โœ Scribed by Picozzi, S. ;Continenza, A. ;Massidda, S. ;Freeman, A.J.


Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
109 KB
Volume
190
Category
Article
ISSN
0031-8965

No coin nor oath required. For personal study only.

โœฆ Synopsis


We performed ab-initio full-potential linearized augmented plane wave (FLAPW) calculations for [0001]-wurtzite and [111]-zincblende GaN/Al junctions, focusing on the Schottky barrier height. We propose a procedure to evaluate the potential discontinuity in the presence of electric fields, showing that their effect is relatively small (a few tenths of an eV). These calculations assess the rectifying behaviour of the GaN/Al contact, in agreement with experimental values for the barrier.


๐Ÿ“œ SIMILAR VOLUMES


Rotational barriers in the guanidinium i
โœ Joseph F Captaini; L Pedersen ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 294 KB

Ab initio molecular orbital calculations are performed on the guanidmium ion using the STO-3G and 4-3 1G basis sets. Values for the single. double, and tripte rigid barriers of rotation, aiong with values for the geometry optimized single barrier of rotation are obtained. In addition, molecular orbi

Nitrogen inversion barriers in three-mem
โœ M. Alcamรญ; J. L. G. De Paz; M. Yรกรฑez ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 982 KB

Polarization and correlation effects on the nitrogen inversion barrier of some three-membered rings have been investigated. The characteristics of the barrier have been analyzed in terms of perturbation theory arguments. This analysis shows that the HOMO is the orbital that changes more dramatically

Conformational energies and rotational b
โœ Ingrid Pettersson; Klaus Gundertofte ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 421 KB

## Abstract The calculated result obtained with MM2(87) for the rotation of the isopropyl group in 3โ€methylโ€1โ€butene is not in agreement with experimental data. In order to reparametrize the C~__sp__~2โ€C~__sp__~3โ€C~__sp__~โ€C~__sp__~3 torsional angle, 3โ€methylโ€1โ€butene and 1โ€butene have been studied

Brรธnsted sites in zeolitic catalysts. An
โœ J. Sauer; C.M. Kรถlmel; J.-R. Hill; R. Ahlrichs ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 500 KB

Complete geometry optimizations were performed on the equilibrium structure (C,) of the H$iOH-AI (OH )r0SiH3 model of bridged hydroxyls in zeolites as well as on the transition structure (C,,) for moving the proton within this model from one SiOAl site to the other. The calculations (DZP basis set,