Skip to main content
Fachgebiete
Automobil + Motoren Bauwesen + Immobilien Business IT + Informatik Elektrotechnik + Elektronik Energie + Nachhaltigkeit Finance + Banking Management + Führung Marketing + Vertrieb Maschinenbau + Werkstoffe Versicherung + Risiko
DE
EN
Bücher
Zeitschriften
Themenseiten
Organisationspsychologie Projektmanagement Marketing Smart Manufacturing
Weitere Formate
Podcasts Webinare Technik Webinare Wirtschaft Kongresse Veranstaltungskalender Awards
Jetzt Einzelzugang starten
Zugang für Unternehmen
Referenzkunden
SLX-Digitalkonferenz: Zukunftswerkstatt 2024

Mehr Umsatz mit Top-Kontakten

Am 7. Mai erfahren Sie, wie Vertriebsteams Leadgenerierung, Leadnurturing und Leadstrategien effizient steuern können.
Erweiterte Suche
Anmelden
nach oben
Optical and Quantum Electronics
Erschienen in: Optical and Quantum Electronics 7/2016

01.07.2016

Ab-initio study of the optical properties of the Li-intercalated graphene and MoS\(_2\)

verfasst von: Jelena Pešić, Radoš Gajić

Erschienen in: Optical and Quantum Electronics | Ausgabe 7/2016

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

Ab-initio calculations based on density functional theory have been performed to study the optical properties of the Li intercalated graphene and MoS\(_2\). Comparative study of imaginary part of dielectric function for the Li doped, pristine graphene monolayer and their bulk counterparts has been done. The dielectric matrix has been calculated using the Quantum Espresso software package and its postprocessing code epsilon.x. The presented results show reliable qualitative description especially for computationally inexpensive calculation.
Vorheriger Artikel Characterization of a terahertz wave scanned imaging system for threat detection at standoff distances
Nächster Artikel Magnetoresistance of the p-(InSb + MnSb)/n-InSb diode structure

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

Jetzt informieren
Literatur
Bae, S., Kim, H., Lee, Y., Xu, X., Park, J.-S., Zheng, Y., Balakrishnan, J., Lei, T., Kim, H.R., Il Song, Y., Kim, Y.-J., Kim, K.S., zyilmaz, B., Ahn, J.-H., Hong, B.H., Iijima, S.: Roll-to-roll production of 30-inch graphene films for transparent electrodes. Nat. Nanotechnol. 5, 574–578 (2010)ADSCrossRef
Bao, W., Wan, J., Han, X., Cai, Xi, Zhu, H., Kim, D., Ma, D., Xu, Y., Munday, J.N., Drew, H.D., Fuhrer, M.S., Hu, L.: Approaching the limits of transparency and conductivity in graphitic materials through lithium intercalation. Nat. Commun. 5, 4224 (2014)ADS
Brener, N.E.: Random-phase-approximation dielectric function for diamond, with local field effects included. Phys. Rev. B 12, 1487–1492 (1975)ADSCrossRef
Buldum, A., Tetiker, G.: First-principles study of graphene-lithium structures for battery applications. J. Appl. Phys. 113, 154312 (2013)ADSCrossRef
Bulusheva, L.G., Sedelnikova, O.V., Okotrub, A.V.: Many-body effects in optical response of graphene-based structures. Int. J. Quantum Chem. 116, 270–281 (2016)CrossRef
Calandra, M., Mauri, F.: Theoretical explanation of superconductivity in C\(_6\)Ca. Phys. Rev. Lett. 95, 237002 (2005)ADSCrossRef
Chen, N.-X., Rabii, S.: Theoretical investigation of the optical spectra of LiC\(_6\). Phys. Rev. B 31, 4784–4791 (1985)ADSCrossRef
Durajski, A.P.: Influence of hole doping on the superconducting state in graphane. Supercond. Sci. Technol. 28, 035002 (2015a)ADSCrossRef
Durajski, A.P.: Effect of layer thickness on the superconducting properties in ultrathin Pb films. Supercond. Sci. Technol. 28, 095011 (2015b)ADSCrossRef
Efetov, D.K., Kim, P.: Controlling electron-phonon interactions in graphene at ultrahigh carrier densities. Phys. Rev. Lett. 105, 256805–256809 (2010)ADSCrossRef
Eklund, P.C., Yang, M.H., Doll, G.L., Dresselhaus, M.S.: Optical Properties of Donor-Type Graphite Intercalation Compounds-Intercalation in Layered Materials, pp. 257–270. Springer, Boston (1986)CrossRef
Elias, D.C., Nair, R., Mohiuddin, T.M., Morozov, S.V., Blake, P., Halsall, M.P., Ferrari, A.C., Boukhvalov, D.W., Katsnelson, M.I., Geim, A.K., Novoselov, K.S.: Control of graphene’s properties by reversible hydrogenation: evidence for graphane. Science 323, 610–613 (2009)ADSCrossRef
Eom, D., Qin, S., Chou, M.-Y., Shih, C.K.: Persistent superconductivity in ultrathin Pb films: a scanning tunneling spectroscopy study. Phys. Rev. Lett. 96, 027005 (2006)ADSCrossRef
Giannozzi, P., et al.: QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21, 395502 (2009)CrossRef
Hennig, G.R.: Optical transmission of graphite compounds. J. Chem. Phys. 43, 1201–1206 (1965)
Isić, G., Jakovljevi, M., Filipović, M., Jovanović, Dj, Vasić, B., Lazović, S., Puač, Nevena, Lj Petrović, Z., Kostić, R., Gajić, R., Humlček, J., Losurdo, M., Bruno, G., Bergmair, I., Hingerl, K.: Spectroscopic ellipsometry of few-layer graphene. J. Nanophoton. 5, 051809 (2011)CrossRef
Ji, Z., Contreras-Torres, F.F., Jalbout, A.F., Ramrez-Trevio, A.: Methods, surface diffusion and coverage effect of Li atom on graphene as studied by several density functional theory. Appl. Surf. Sci. 285, 846–852 (2013)ADSCrossRef
Katsnelson, M.I., Novoselov, K.S., Geim, A.K.: Chiral tunnelling and the Klein paradox in graphene. Nat. Phys. 2, 620–625 (2006)CrossRef
Khrapach, I., Withers, F., Bointon, T.H., Polyushkin, D.K., Barnes, W.L., Russo, S., Craciun, M.F.: Novel highly conductive and transparent graphene-based conductors. Adv. Mat. 24, 2844–2849 (2012)CrossRef
Kim, D.-H., Ahn, J.-H., Choi, W.M., Kim, H.-S., Kim, T.-H., Song, J., Huang, Y.Y., Liu, Z., Lu, C., Rogers, J.A.: Stretchable and foldable silicon integrated circuits. Science 320, 507–511 (2008)ADSCrossRef
Kim, K.S., Zhao, Y., Jang, H., Lee, S.Y., Kim, J.M., Kim, K.S., Ahn, J.-H., Kim, P., Choi, J.-Y., Hong, B.H.: Large-scale pattern growth of graphene films for stretchable transparent electrodes. Nature 457, 706–710 (2009)ADSCrossRef
Kostić, R., Mirić, M., Radić, T., Radović, M., Gajić, R., Popović, Z.V.: Optical characterization of graphene and highly oriented pyrolytic graphite. Acta Phys. Pol. A 116, 718–721 (2009)ADSCrossRef
Kotov, V.N., Uchoa, B., Pereira, V.M., Guinea, F., Castro Neto, A.H.: Electron–electron interactions in graphene: current status and perspectives. Rev. Mod. Phys. 84, 1067–1125 (2012)ADSCrossRef
Krack, M.: Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals. Theor. Chem. Acc. 114, 145–152 (2005)CrossRef
Kumar, A., Ahluwalia, P.K.: A first principle comparative study of electronic and optical properties of 1H–MoS2 and 2H–MoS2. Mater. Chem. Phys. 135, 755–761 (2012)CrossRef
Li, W., Birdwell, A.G., Amani, M., Burke, R.A., Ling, X., Lee, Y.-H., Liang, X., Peng, L., Richter, C.A., Kong, J., Gundlach, D.J., Nguyen, N.V.: Broadband optical properties of large-area monolayer CVD molybdenum disulfide. Phys. Rev. B 90, 195434 (2014)ADSCrossRef
Liu, Y., Ren, L., He, Y., Cheng, H.P.: Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations. J. Phys. Condens. Matter 22, 445301 (2010)ADSCrossRef
Ludbrook, B.M., Levy, G., Nigge, P., Zonno, M., Schneider, M., Dvorak, D.J., Veenstra, C.N., Zhdanovich, S., Wong, D., Dosanjh, P., Straer, C., Sthr, A., Forti, S., Ast, C.R., Starke, U., Damascelli, A.: Evidence for superconductivity in Li-decorated monolayer graphene. PNAS 112, 11795–11799 (2015)ADSCrossRef
Mak, K.F., Lee, C., Hone, J., Shan, J., Heinz, T.F.: Atomically thin MoS: a new direct-gap semiconductor. Phys. Rev. Lett. 105, 136805 (2010)ADSCrossRef
Margine, E.R., Giustino, F.: Two-gap superconductivity in heavily n-doped graphene: Ab initio Migdal–Eliashberg theory. Phys. Rev. B 90, 014518 (2014)ADSCrossRef
Marinopoulos, A.G., Reining, L., Rubio, A., Olevano, V.: Ab initio study of the optical absorption and wave-vector-dependent dielectric response of graphite. Phys. Rev. B 69, 245419 (2004)ADSCrossRef
Matković, A., Beltaos, A., Milićević, M., Ralević, U., Vasić, B., Jovanović, Dj, Gajić, R.: Spectroscopic imaging ellipsometry and Fano resonance modeling of graphene. J. Appl. Phys. 112, 123523 (2012)ADSCrossRef
Matković, A., Milošević, I., Milićević, M., Tomašević-Ilić, T., Pešić, J., Musić, M., Spasenović, M., Jovanović, D., Vasić, B., Deeks, C., Panajotović, R., Belić, M., Gajić, R.: Enhanced sheet conductivity of Langmuir–Blodgett assembled graphene thin films by chemical doping. 2D Mater 3, 015002 (2016)CrossRef
Novoselov, K.S., Geim, A.K., Morozov, S.V., Jiang, D., Zhang, Y., Dubonos, S.V., Grigorieva, I.V., Firsov, A.A.: Electric field effect in atomically thin carbon films. Science 306, 666–669 (2004)ADSCrossRef
Novoselov, K.S., Jiang, Z., Zhang, Y., Morozov, S.V., Stormer, H.L., Zeitler, U., Maan, J.C., Boebinger, G.S., Kim, P., Geim, A.K.: Room-temperature quantum hall effect in graphene. Science 315, 1379 (2007)ADSCrossRef
Penev, E.S., Kutana, A., Yakobson, B.I.: Can two-dimensional boron superconduct? Nano Lett. 16, 2522–2526 (2016)ADSCrossRef
Perdew, J.P., Zunger, Alex: Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23, 5048–5080 (1981)ADSCrossRef
Pešić, J., Gajić, R., Hingerl, K., Belić, M.: Strain-enhanced superconductivity in Li-doped graphene. EPL 108, 67005 (2014)ADSCrossRef
Pešić, J., Damljanović, V., Gajić, R., Hingerl, K., Belić, M.: Density functional theory study of phonons in graphene doped with Li, Ca and Ba. EPL 112, 67006 (2015)ADSCrossRef
Profeta, G., Calandra, M., Mauri, F.: Phonon-mediated superconductivity in graphene by lithium deposition. Nat. Phys. 8, 131–134 (2012)CrossRef
Rani, P., Dubey, G.S., Jindal, V.K.: DFT study of optical properties of pure and doped graphene. Phys. E 62, 28–35 (2014)CrossRef
Reina, A., Jia, X., Ho, J., Nezich, D., Son, H., Bulovic, V., Dresselhaus, M.S., Kong, J.: Large area, few-layer graphene films on arbitrary substrates by chemical vapor deposition. Nano Lett. 9, 30–35 (2009)ADSCrossRef
Sedelnikova, O.V., Bulusheva, L.G., Okotrub, A.V.: Ab initio study of dielectric response of rippled graphene. J. Chem. Phys. 134, 244707 (2011)ADSCrossRef
Sekitani, T., Noguchi, Y., Hata, K., Fukushima, T., Aida, T., Someya, T.: A rubberlike stretchable active matrix using elastic conductors. Science 321, 1468–1472 (2008)ADSCrossRef
Si, C., Liu, Z., Duan, W., Liu, F.: First-principles calculations on the effect of doping and biaxial tensile strain on electron–phonon coupling in graphene. Phys. Rev. Lett. 111, 196802 (2013)ADSCrossRef
Sivek, J., Leenaerts, O., Partoens, B., Petters, F.M., Adsorption of Titanium and Titanium Dioxide on Graphene: n and p-type Doping. arXiv:​1301.​3654 [cond-mat.mtrl-sci] (2013)
Szczniak, D., Durajski, A.P., Szczniak, R.: Influence of lithium doping on the thermodynamic properties of graphene based superconductors. J. Phys. Condens. Matter 26, 255701 (2014)CrossRef
Trevisanutto, P.E., Holzmann, M., Ct, M., Olevano, V.: Ab initio high-energy excitonic effects in graphite and graphene. Phys. Rev. B 81, 121405 (2010)ADSCrossRef
Wang, F., Zhang, Y., Tian, C., Girit, C., Zettl, A., Crommie, M., Shen, Y.R.: Gate-variable optical transitions in graphene. Science 320, 206–209 (2008)ADSCrossRef
Wang, X., Li, X., Zhang, L., Yoon, Y., Weber, P.K., Wang, H., Guo, J., Dai, H.: N-doping of graphene through electrothermal reactions with ammonia. Science 324, 768–771 (2009)ADSCrossRef
Zhang, Y., Tan, Y.W., Stormer, H.L., Kim, P.: Experimental observation of the quantum Hall effect and Berry’s phase in graphene. Nature 438, 201–204 (2005)ADSCrossRef
Metadaten
Titel
Ab-initio study of the optical properties of the Li-intercalated graphene and MoS
verfasst von
Jelena Pešić
Radoš Gajić
Publikationsdatum
01.07.2016
Verlag
Springer US
Erschienen in
Optical and Quantum Electronics / Ausgabe 7/2016
Print ISSN: 0306-8919
Elektronische ISSN: 1572-817X
DOI
https://doi.org/10.1007/s11082-016-0635-6

Weitere Artikel der Ausgabe 7/2016

Optical and Quantum Electronics 7/2016 Zur Ausgabe

OriginalPaper

Circuit-level implementation of quantum-dot VCSEL

OriginalPaper

Analysis of semiconductor coupled waveguides with interband absorption

OriginalPaper

Dependency of the optical properties of heterogeneous calcium bismuthate–bismuth oxide particles on the order of layers alternation

OriginalPaper

A long-period fibre grating monitor of respiratory volumes for the use in non-invasive mechanical ventilation

OriginalPaper

A novel mode add/drop multiplexer based on two parallel combinative long period fiber gratings

OriginalPaper

New potential dopants for BaSnO3-based transparent conducting oxides

Neuer Inhalt

    Bildnachweise