Exchange-energy functionals for finite two-dimensional systems

Article

关键词: ELECTRON-GAS;    QUANTUM DOTS;    APPROXIMATIONS;    MODEL;   

DOI  :  10.1103/PhysRevB.76.235314

来源: SCIE

【 摘 要 】

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.

【 授权许可】

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