title: Modeling on the size dependent properties of InP quantum dots: a hybrid functional study.
abstract: Theoretical calculations based on density functional theory were performed to provide better understanding of the size dependent electronic properties of InP quantum dots (QDs). Using a hybrid functional approach, we suggest a reliable analytical equation to describe the change of energy band gap as a function of size. Synthesizing colloidal InP QDs with 2-4 nm diameter and measuring their optical properties was also carried out. It was found that the theoretical band gaps showed a linear dependence on the inverse size of QDs and gave energy band gaps almost identical to the experimental values.
authors.affiliation: Advanced Material Research Center, Samsung Advanced Institute of Technology-SAIT, Samsung Electronics Co., Mt.14-1, Nongseo-Dong, Giheung-Gu, Yongin-Si, Gyeonggi-Do 449-712, Korea.
authors.forename: Eunseog
authors.initials: E
authors.lastname: Cho
authors.forename: Hyosook
authors.initials: H
authors.lastname: Jang
authors.forename: Junho
authors.initials: J
authors.lastname: Lee
authors.forename: Eunjoo
authors.initials: E
authors.lastname: Jang
mesh_terms: D003198:Computer Simulation; D004579:Electron Transport; D007204:Indium / Q000737:chemistry*; D046911:Macromolecular Substances / Q000737:chemistry; D008422:Materials Testing; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D010720:Phosphines / Q000737:chemistry*; D045663:Quantum Dots; D012031:Refractometry; D013499:Surface Properties
chemical_list: D046911:Macromolecular Substances; D010720:Phosphines; D007204:Indium; C090882:indium phosphide