Physics – Condensed Matter – Materials Science
Scientific paper
2003-12-11
Phys. Rev. B 70, 104106 (2004) (8 pages)
Physics
Condensed Matter
Materials Science
8 pages, 5 figures, RevTeX4, update after referees reports
Scientific paper
10.1103/PhysRevB.70.104106
Crystals of tetracene have been studied by means of lattice phonon Raman spectroscopy as a function of temperature and pressure. Two different phases (polymorphs I and II) have been obtained, depending on sample preparation and history. Polymorph I is the most frequently grown phase, stable at ambient conditions. A pressure induced phase transition, observed above 1 GPa, leads to polymorph II, which is also obtained at temperatures below 140 K. Polymorph II can also be maintained at ambient conditions. We have calculated the crystallographic structures and phonon frequencies as a function of temperature, starting from the configurations of the energy minima found by exploring the potential energy surface of crystalline tetracene. The spectra calculated for the first and second deepest minima match satisfactorily those measured for polymorphs I and II, respectively. All published x-ray structures, once assigned to the appropriate polymorph, are also reproduced.
Brillante Aldo
Della Valle Raffaele Guido
Farina Luca
Girlando Alberto
Masino Matteo
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