Electronic properties and optical spectra of MoS2 and WS2 nanotubes
Само за регистроване кориснике
2007
Аутори
Milošević, IvankaNikolic, Božidar
Dobardzic, Edib
Damnjanović, Milan
Popov, Igor
Seifert, Gotthard
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Symmetry based calculations of the polarized optical absorption in single-wall MoS2 and WS2 nanotubes are presented. Optical conductivity tensor for the individual tubes, using line group symmetry and density-functional tight binding implemented in POLSYM code, is numerically evaluated and its dependence on the diameter and chiral angle of the nanotubes is investigated. This minimal, full symmetry implementing algorithm enabled calculations of the optical response functions very efficiently and addressed the large diameter tubes and highly chiral tubes as well. It is predicted that, due to the symmetry transformation properties of the relevant electronic states, fluorescence is not expected in the metal dichalcogenide tubes. In accordance with the measurements, the calculations show redshift of the absorption peaks as the tube diameter increases. Also, it is found that curvature strain induces strong chiral angle dependence of the absorption spectra.
Кључне речи:
transition metal chalcohalides/ nanotubes/ symmetry group analysis/ density functional based tight binding/ optical propertiesИзвор:
Physical Review B, 2007, 76, 23Издавач:
- Amer Physical Soc, College Pk
DOI: 10.1103/PhysRevB.76.233414
ISSN: 2469-9950
WoS: 000251986500027
Scopus: 2-s2.0-37649008495
Институција/група
Institut za multidisciplinarna istraživanjaTY - JOUR AU - Milošević, Ivanka AU - Nikolic, Božidar AU - Dobardzic, Edib AU - Damnjanović, Milan AU - Popov, Igor AU - Seifert, Gotthard PY - 2007 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/199 AB - Symmetry based calculations of the polarized optical absorption in single-wall MoS2 and WS2 nanotubes are presented. Optical conductivity tensor for the individual tubes, using line group symmetry and density-functional tight binding implemented in POLSYM code, is numerically evaluated and its dependence on the diameter and chiral angle of the nanotubes is investigated. This minimal, full symmetry implementing algorithm enabled calculations of the optical response functions very efficiently and addressed the large diameter tubes and highly chiral tubes as well. It is predicted that, due to the symmetry transformation properties of the relevant electronic states, fluorescence is not expected in the metal dichalcogenide tubes. In accordance with the measurements, the calculations show redshift of the absorption peaks as the tube diameter increases. Also, it is found that curvature strain induces strong chiral angle dependence of the absorption spectra. PB - Amer Physical Soc, College Pk T2 - Physical Review B T1 - Electronic properties and optical spectra of MoS2 and WS2 nanotubes IS - 23 VL - 76 DO - 10.1103/PhysRevB.76.233414 ER -
@article{ author = "Milošević, Ivanka and Nikolic, Božidar and Dobardzic, Edib and Damnjanović, Milan and Popov, Igor and Seifert, Gotthard", year = "2007", abstract = "Symmetry based calculations of the polarized optical absorption in single-wall MoS2 and WS2 nanotubes are presented. Optical conductivity tensor for the individual tubes, using line group symmetry and density-functional tight binding implemented in POLSYM code, is numerically evaluated and its dependence on the diameter and chiral angle of the nanotubes is investigated. This minimal, full symmetry implementing algorithm enabled calculations of the optical response functions very efficiently and addressed the large diameter tubes and highly chiral tubes as well. It is predicted that, due to the symmetry transformation properties of the relevant electronic states, fluorescence is not expected in the metal dichalcogenide tubes. In accordance with the measurements, the calculations show redshift of the absorption peaks as the tube diameter increases. Also, it is found that curvature strain induces strong chiral angle dependence of the absorption spectra.", publisher = "Amer Physical Soc, College Pk", journal = "Physical Review B", title = "Electronic properties and optical spectra of MoS2 and WS2 nanotubes", number = "23", volume = "76", doi = "10.1103/PhysRevB.76.233414" }
Milošević, I., Nikolic, B., Dobardzic, E., Damnjanović, M., Popov, I.,& Seifert, G.. (2007). Electronic properties and optical spectra of MoS2 and WS2 nanotubes. in Physical Review B Amer Physical Soc, College Pk., 76(23). https://doi.org/10.1103/PhysRevB.76.233414
Milošević I, Nikolic B, Dobardzic E, Damnjanović M, Popov I, Seifert G. Electronic properties and optical spectra of MoS2 and WS2 nanotubes. in Physical Review B. 2007;76(23). doi:10.1103/PhysRevB.76.233414 .
Milošević, Ivanka, Nikolic, Božidar, Dobardzic, Edib, Damnjanović, Milan, Popov, Igor, Seifert, Gotthard, "Electronic properties and optical spectra of MoS2 and WS2 nanotubes" in Physical Review B, 76, no. 23 (2007), https://doi.org/10.1103/PhysRevB.76.233414 . .