Ab initio calculation of the band mismatch in InP nanowires

• Grant number: 11/08513-1
• Support Opportunities: Regular Research Grants
• Start date: October 01, 2011
• End date: September 30, 2013
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Luis Carlos Ogando Dacal
• Grantee: Luis Carlos Ogando Dacal
• Host Institution: Instituto de Estudos Avançados (IEAv). Departamento de Ciência e Tecnologia Aeroespacial (DCTA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil
• Associated researchers: Andrés Cantarero Saez ; Fernando Iikawa ; Jose Antonio Brum ; Maria José Santos Pompeu Brasil

Abstract

The artificial growth of semiconductor nanowires gives rise to the possibility of stable wurtzite compounds that present zinc blend symmetry when bulk samples are grown. More than that, the small difference in energy allows one to control the nanowire phase through growth conditions. At the same time, stacking faults are expected and carrier confinement effects will be present in the nanowire optical properties due to the band mismatch in the interface between the phases. In order to estimate the band mismatch contribution on the optical characterization of the nanowires, we will perform "ab initio" calculations of the band structure of InP wurtzite systems with stacking faults with zinc blend symmetry and vice versa. Getting in mind that experimental determination of the band mismatch at the interface between different structures is not a trivial task, we will also calculate the band structure of zinc blend InAs / InP systems with each one of the compounds determining the in-plane structural parameter. All these results are relevant for the experimental coworkers that wait for theoretical support to the experimental results. (AU)

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

DACAL, LUIS C. O.; CANTARERO, A.. An ab initio study of the polytypism in InP. SCIENTIFIC REPORTS, v. 6, SEP 26 2016. (11/08513-1)