Title :
Y2O3 and MoS2 electronic properties simulation
Author :
Anatoly, Gulay ; Olga, Kozlova ; Nina, Levchenko ; Vladislav, Nelayev
Author_Institution :
Intellectual Syst. Dept., Belarusian Nat. Tech. Univ., Minsk, Belarus
Abstract :
Simulation results of Y2O3 and MoS2 electronic properties are presented. These compounds are advanced materials for nanoelectronics and nanosensor devices. Electron density and band structure were calculated. The calculations were performed with use Vienna Ab-Initio Simulation Package (VASP) and the multiprocessor computer cluster (supercomputer) SKIF K1000.
Keywords :
ab initio calculations; band structure; electron density; electronic structure; molybdenum compounds; yttrium compounds; MoS2; Vienna ab-initio simulation package; Y2O3; band structure; electron density; electronic properties; multiprocessor computer cluster; nanoelectronics; nanosensor; Chemistry; Compounds; Crystals; Nanoelectronics; Yttrium; PAW-method; crystal structure; electron-nuclear system; lattice parameters; materials; nanoelectronics; nanosensory; pseudopotentials;
Conference_Titel :
Perspective Technologies and Methods in MEMS Design (MEMSTECH), 2011 Proceedings of VIIth International Conference on
Conference_Location :
Polyana
Print_ISBN :
978-1-4577-0639-4
Electronic_ISBN :
978-966-2191-18-9
