Peierls phonons in organic molecular crystals and in charge transfer salts

• Autorzy: Girlando, A. , Masino, M. , Brillante, A. , Della Valle, R. G. , Venuti, E.
• Języki publikacji: EN

Abstrakty

EN

We review the Quasi-Harmonic Lattice Dynamic (QHLD) method, which we have recently implemented and adopted to carefully reproduce the crystal structure and lattice phonon dynamics of molecular crystals as a function of temperature and pressure. Association with mean field electronic structure calculations allows us to characterize the Peierls coupling, namely the coupling between electrons and lattice phonons. We apply this method to organic superconductors based on bis-ethylene-dithio-tetrathiafulvalene (BEDT-TTF), showing that many experimental findings related to superconducting properties are rationalized in terms of the Peierls coupling. Electron-intramolecular phonon coupling and electron -electron interactions, however, have to be taken into account for a full characterization. We also present results concerning another class of molecular crystals, the acenes. In this case, the focus is on the understanding of the temperature dependences of mobilities. First and foremost, however, we emphasize the possibility of accurately predicting both the crystal structure and lattice phonon spectral signatures. We analyse pentacene and tetracene, showing that both systems can crystallize into two different polymorphs. The two polymorphs have comparable stabilities, and can coexist in the same crystallite. Raman spectroscopy in the lattice phonon region is used as a convenient tool to identify the two phases. The Peierls coupling strength of pentacene is evaluated.

Słowa kluczowe

EN

electron-phonon coupling; lattice phonons; organic superconductors; acenes

• Czasopismo: Materials Science Poland
• Rocznik: 2004
• Tom: Vol. 22, No. 4
• Strony: 307--316
• Opis fizyczny: Bibliogr. 26 poz.

Twórcy

autor

Girlando, A.

• Dip. Chimica G.I.A.F. and INSTM-UdR Parma, Parma University, Parma, Italy,

autor

Masino, M.

• Dip. Chimica G.I.A.F. and INSTM-UdR Parma, Parma University, Parma, Italy

autor

Brillante, A.

• Dip. Chimica Fisica ed Inorg. and INSTM-UdR Bologna, Bologna University, Italy

autor

Della Valle, R. G.

• Dip. Chimica Fisica ed Inorg. and INSTM-UdR Bologna, Bologna University, Italy

autor

Venuti, E.

• Dip. Chimica Fisica ed Inorg. and INSTM-UdR Bologna, Bologna University, Italy

Bibliografia

• [1] DELLA VALLE R.G., VENUTI E., FARINA L., BRILLANTE A., Chem. Phys., 273 (2001), 197.
• [2] GIRLANDO A., MASINO M., VISENTINI G., DELLA VALLE R.G., BRILLANTE A., VENUTI E., Phys. Rev., B62 (2000) 14476.
• [3] CALIFANO S., SCHETTINO V., NETO N., Lattice Dynamics of Molecular Crystals, Springer-Verlag, Berlin, 1981.
• [4] HOFFMANN R., J. Chem. Phys. 39 (1965), 1397.
• [5] ZERNER M.C., LOEW G.H., KIRCHNER R.F., MUELLER-WESTERHOFF U.T., J. Am. Chem. Soc., 102 (1980), 589.
• [6] LANG M., MUELLER J., [in:] K.H. Bennemann, J.B. Ketterson (Eds.), The Physics of Superconductors, Vol. 2, Springer-Velag, Heidelberg, 2003.
• [7] GIRLANDO A., MASINO M., BRILLANTE A., DELLA VALLE R.G., VENUTI E., Phys. Rev., B66 (2002), 100507 (R).
• [8] GIRLANDO A., MASINO M., BRILLANTE A., DELLA VALLE R.G., VENUTI E., [in:] R.W. Stevens (Ed.), New Developments in Superconductivity Research, Nova Science Publishers, Hauppauge, 2003, p. 15.
• [9] ALLEN P.B., DYNES R.C., Phys. Rev., B12 (1975), 905.
• [10] MARSIGLIO F., CARBOTTE J.P., Phys. Rev., B 33 (1986), 6141.
• [11] DRICHKO N., HAAS P., GORSHUNOV B., SCHWEITZER D., DRESSEL M., Europhys. Lett., 59 (2002), 774.
• [12] LUDWIG T., SCHWEITZER D., KELLER H.J., Synth. Metals, 85 (1985), 1587.
• [13] WOSNITZA J., LIU X., SCHWEITZER D., KELLER H., Phys. Rev., B 50 (1994), 12747.
• [14] SADEWASSER S., LOONEY C., SCHILLING J.S., SCHLUETER J.A., WILLIAMS J.M., NIXON P.G., WINTER R.W., GARD G.L., Solid State Comm. 104 (1997), 571.
• [15] CAUFIELD J., LUBCZYNSKI W., PRATT F.L., SINGLETON J., KO. D.J.K., HAYES W., KURMOO M., DAY P., J. Phys. C : Condens. Matter 6 (1994), 2911.
• [16] DIMITRAKOPOULOS C.D.,MASCARO D.J., IBM Res. & Dev., 45 (2001), 11.
• [17] HANNEWALD K., BOBBERT P.A., Phys. Rev., B69 (2004), 075212.
• [18] DELLA VALLE R.G., VENUTI E., FARINA L., BRILLANTE A.,MASINO M., GIRLANDO A., J. Phys. Chem., B 108 (2004), 1822, and references therein.
• [19] VENUTI E., DELLA VALLE R.G., BRILLANTE A., MASINO M., GIRLANDO A., J. Amer. Chem. Soc., 124 (2002), 2128.
• [20] CAMPBELL R.B., ROBERTSON J.M., Acta Cryst., 15 (1962), 289.
• [21] HOLMES D.,KUMARASWAMY S.,MATZGER A.J.,VOLLHARDT K.P., Chem.Eur.J., 5 (1999), 3399; SIEGRIST T., KLOC CH., SCHOEN J.H., BATTLOGG B., HADDON R.C., BERG S., THOMAS G.A., Angew. Chem. Int. Ed. Engl., 40 (2001), 1732; MATTHEUS C.C.,DROS A.B.,BAAS J., MEETSMA A., DEBOER J.L., PALSTRA T.T.M., Acta Cryst., C 57 (2001), 1732
• [22] DELLA VALLE R.G., VENUTI E., BRILLANTE A., GIRLANDO A., J. Chem. Phys. 118 (2003), 807.
• [23] BRILLANTE A., DELLA VALLE R.G., FARINA L., GIRLANDO A., MASINO M., VENUTI E., Chem. Phys. Lett. 357 (2002), 32.
• [24] FARINA L., BRILLANTE A., DELLA VALLE R.G., VENUTI E., AMBOAGE M., SYASSEN K., Chem. Phys. Lett. 375 (2003), 490.
• [25] VENUTI E., DELLA VALLE R.G., FARINA L., BRILLANTE A., MASINO M., GIRLANDO A.Phys. Rev. B 70 (2004), 104106.
• [26] WONG W.K.,WESTRUM JR.E.F., Mol. Cryst. Liq. Cryst. 61 (1980), 207.