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RESEARCH PRODUCT
LDA+Uand tight-binding electronic structure of InN nanowires
A. TerentjevsAlberto García-cristóbalGiancarlo CiceroAlejandro Molina-sanchezAndrés Cantarerosubject
Indium nitrideSmall diameterMaterials scienceCondensed Matter - Mesoscale and Nanoscale PhysicsCondensed matter physics: Physics [G04] [Physical chemical mathematical & earth Sciences]Ab initioNanowireFOS: Physical sciencesPhysics::OpticsElectronic structureCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsCondensed Matter::Materials Sciencechemistry.chemical_compoundTight binding: Physique [G04] [Physique chimie mathématiques & sciences de la terre]chemistryMesoscale and Nanoscale Physics (cond-mat.mes-hall)Electronic band structureWurtzite crystal structuredescription
In this paper we employ a combined ab initio and tight-binding approach to obtain the electronic and optical properties of hydrogenated Indium nitride InN nanowires. We first discuss InN band structure for the wurtzite structure calculated at the LDA+U level and use this information to extract the parameters needed for an empirical tight-binging implementation. These parameters are then employed to calculate the electronic and optical properties of InN nanowires in a diameter range that would not be affordable by ab initio techniques. The reliability of the large nanowires results is assessed by explicitly comparing the electronic structure of a small diameter wire studied both at LDA+U and tight-binding level.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-09-25 | Physical Review B |