Schottky barriers at transition-metal/interfaces
Authors:
- 18 June 2009
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 79 (24) , 245121
Abstract
Schottky barrier heights were calculated for a series of interfaces between transition metals and strontium titanate with the first-principles mixed-basis pseudopotential method based on density-functional theory. The process of interface formation was analyzed in a step-by-step procedure that enables one to distinguish between structural and electronic contributions influencing the Schottky barrier height. This decomposition yields not only detailed information about the most relevant quantities that determine the band lineup at the interface but also provides means to validate fundamental assumptions of phenomenological theories, which estimate the Schottky barrier height from few characteristic material parameters.Keywords
This publication has 123 references indexed in Scilit:
- Surface structure ofPhysical Review B, 2007
- Chemical tuning of band alignments for metal gate/high-oxide interfacesPhysical Review B, 2006
- Complex band structure and the band alignment problem at the Si–high-dielectric interfacePhysical Review B, 2005
- Thin-film field-effect transistors based on La-doped SrTiO3 heterostructuresApplied Physics Letters, 2004
- Structural properties and quasiparticle energies of cubic SrO, MgO and SrTiO3Journal of Physics: Condensed Matter, 2000
- Relaxations of- and SrO-terminated(001) surfacesPhysical Review B, 1998
- How to analyse relaxation and leakage currents of dielectric thin films: Simulation of voltage-step and voltage-ramp techniquesIntegrated Ferroelectrics, 1995
- Density-functional energies and forces with Gaussian-broadened fractional occupationsPhysical Review B, 1994
- All-electron local-density theory of alkali-metal bonding on transition-metal surfaces: Cs on W(001)Physical Review B, 1983
- Ionicity and the theory of Schottky barriersPhysical Review B, 1977