Multiscale Simulation of Nanostructured Materials and Systems

作者：Nelayev Vladislav^*; Barkaline Viatcheslav; Brechko Teodor; Chashynski Alexander; Lyskovski Viachaslau; Mamedov Nazim

来源：Japanese Journal of Applied Physics, 2011, 50(5): 05FE08.

DOI：10.1143/JJAP.50.05FE08

A hierarchical approach to simulation of nanostructured materials and systems is discussed by examples of ab initio calculations of the strain dependence of electronic properties of TlMeX2 compounds (Me = In, Ga, Tl; X = S, Se, Te) and study of sensitivity of ordered carbon nanotube (CNT) array based acoustic gas sensors.

• 出版日期2011-5