Band structure calculation of GaSe-based nanostructures using empirical pseudopotential method

5th International Conference of Photonics and Information Optics

Osadchy, A.V.^1,2 ; Volotovskiy, S.G.^3 ; Obraztsova, E.D.^1,2 ; Savin, V.V.^4 ; Golovashkin, D.L.^3

A.M. Prokhorov General Physics Institute, RAS, 38 Vavilov Str., Moscow

119991, Russia^1

National Research Nuclear University MEPhI, Moscow Engineering Physics Institute, 31 Kashirskoye Shosse, Moscow

115409, Russia^2

Image Processing System Institute, Russian Academy of Sciences, 151 Molodogvardeyskaya str., Samara

443001, Russia^3

Immanuel Kant Baltic Federal University, 14 Nevskogo str., Kaliningrad

236041, Russia^4

关键词: Ab initio techniques;    Band structure calculation;    Computing resource;    Empirical pseudopotential method;    Traditional approaches;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/737/1/012034/pdf
DOI  :  10.1088/1742-6596/737/1/012034

来源: IOP

【 摘 要 】

In this paper we present the results of band structure computer simulation of GaSe- based nanostructures using the empirical pseudopotential method. Calculations were performed using a specially developed software that allows performing simulations using cluster computing. Application of this method significantly reduces the demands on computing resources compared to traditional approaches based on ab-initio techniques and provides receiving the adequate comparable results. The use of cluster computing allows to obtain information for structures that require an explicit account of a significant number of atoms, such as quantum dots and quantum pillars.