TY - JOUR

T1 - Electronic structure of self-assembled quantum dots

T2 - Comparison between density functional theory and diffusion quantum Monte Carlo

AU - Shumway, J.

AU - Fonseca, L. R.C.

AU - Leburton, J. P.

AU - Martin, Richard M.

AU - Ceperley, D. M.

N1 - Funding Information:
This work was supported by CRI from the University of Illinois and NSF Grants No. ECS 95-09751 and No. DMR 94-22496 and computer resources at NCSA.

PY - 2000/9

Y1 - 2000/9

N2 - We have calculated the exchange, correlation, and total electronic energy of a realistic InAs self-assembled quantum dot embedded in a GaAs matrix as a function of the number of electrons in the dot. The many-body interactions have been treated using the local spin density approximation (LSDA) to density functional theory (DFT) and diffusion quantum Monte Carlo (DMC), so that we may quantify the error introduced by LSDA. The comparison shows that the LSDA errors are about 1-2 meV per electron for the system considered. These errors are small enough to justify the use of LSDA calculations to test models of self-assembled dots against current experimental measurements.

AB - We have calculated the exchange, correlation, and total electronic energy of a realistic InAs self-assembled quantum dot embedded in a GaAs matrix as a function of the number of electrons in the dot. The many-body interactions have been treated using the local spin density approximation (LSDA) to density functional theory (DFT) and diffusion quantum Monte Carlo (DMC), so that we may quantify the error introduced by LSDA. The comparison shows that the LSDA errors are about 1-2 meV per electron for the system considered. These errors are small enough to justify the use of LSDA calculations to test models of self-assembled dots against current experimental measurements.

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U2 - 10.1016/S1386-9477(00)00141-7

DO - 10.1016/S1386-9477(00)00141-7

M3 - Article

AN - SCOPUS:0034274869

SN - 1386-9477

VL - 8

SP - 260

EP - 268

JO - Physica E: Low-Dimensional Systems and Nanostructures

JF - Physica E: Low-Dimensional Systems and Nanostructures

IS - 3

ER -