Вид документа : Статья из журнала Шифр издания : 54/E 58 Автор(ы) : Enyashin A. N., Ivanovskii A. L. Заглавие : Electronic, Energy, and Thermal Properties of the Möbius Strip and Related Ring Nanostructures of NbS3 Место публикации : Physics of the Solid State. - 2006. - Vol. 48, № 4. - С. 780-785: il. Примечания : Bibliogr. : p. 784-785 (18 ref.) ISSN: 1063-7834 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): трисульфид ниобия--лента мебиуса--наноструктуры Аннотация: The electronic structure and energy characteristics of the Mobius strip and related ring nanostructures of niobium trisulfide NbS3 are investigated using the density functional tight-binding (DFTB) method. The results obtained are analyzed and compared with those obtained for the crystal and planar ribbon structures of NbS3. The formation of NbS3 ring structures leads to a considerable increase in the density of Nb 4d states at the Fermi level. The simulation of the behavior of the ring structures in the temperature range T= 0–700 K demonstrates that the Mobius strip has a lower thermal stability as compared to the NbS3 ring Доп.точки доступа: Ivanovskii, A. L.; Ивановский Александр Леонидович