Electron–phonon coupling in negatively charged acene- and phenanthrene-edge-type hydrocarbon crystals

Kato, Takashi; Yoshizawa, Kazunari; Hirao, Kazuyuki

doi:10.1063/1.1445102

Cited by 74 publications

(68 citation statements)

References 52 publications

(24 reference statements)

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“…show that the C-C stretching A 1 mode of 1,434 cm − 1 (in monoanion of phenanthrene, 7 cm − 1 downshift from 1441 cm − 1 in the pure phenanthrene) strongly coupled to the a 2 LUMO in phenanthrene and has large electron-phonon coupling constants in the monoanion of phenanthrene 29 . The linewidth of the modes are obviously increased in K-and Rb-doped samples.…”

Section: Resultsmentioning

confidence: 99%

“…Such a broadening of the modes arises from the electron-phonon interaction 28 . Kato et al have studied the electron-phonon coupling and predicted occurrence of possible superconductivity in negatively charged phenanthrene-edge-type hydrocarbon crystals based on the BCS theory with strong electron-phonon coupling 29 . They found that the strength of electron-phonon coupling and T c s have relevance to the molecular size and the molecular edge structures, and T c and electron-phonon coupling constants decrease with increasing the molecular size.…”

Section: Resultsmentioning

confidence: 99%

“…Table 3. 29 indicates that the electronphonon coupling constants decrease with an increase in the number of carbon atoms in phenanthrene edge-type hydrocarbons. They estimated T c for the hydrocarbon monoanions by using the approximate solution of the Eliashberg equation, and found that T c decreases with increasing the number of carbon atoms in phenanthrene edgetype hydrocarbons.…”

Section: Discussionmentioning

confidence: 99%

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Superconductivity at 5 K in alkali-metal-doped phenanthrene

et al. 2011

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organic superconductors have π-molecular orbitals, from which electrons can become delocalized, giving rise to metallic conductivity due to orbital overlap between adjacent molecules. Here we report the discovery of superconductivity at a transition temperature (T c ) of ~5 K in alkali-metal-doped phenanthrene. A 1-GPa pressure leads to a 20% increase of T c , suggesting that alkali-metal-doped phenanthrene shows unconventional superconductivity. Raman spectra indicate that alkali-metal doping injects charge into the system to realize the superconductivity. The discovery of superconductivity in A 3 phenanthrene (where A can be either K or Rb) produces a novel broad class of superconductors consisting of fused hydrocarbon benzene rings with π-electron networks. An increase of T c with increasing number of benzene rings from three to five suggests that organic hydrocarbons with long chains of benzene rings are potential superconductors with high T c .

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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Superconductivity at 5 K in alkali-metal-doped phenanthrene

et al. 2011

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“…Besides, the feature of "armchair" edge type, which is regarded as a key factor of superconductivity in such a system, is shared in the hydrocarbon superconductors in contrast to the "zigzag" edge type. 4,6,8,13 Hydrocarbon superconductors are also a low-dimensional system with strong electron-phonon and electron-electron interactions, and both of which may be involved in superconductivity as suggested by some theoretical works.…”

Section: -3mentioning

confidence: 99%

Structural and vibrational properties of phenanthrene under pressure

Huang

Zhang

Berlie

et al. 2013

The Journal of Chemical Physics

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The structural and vibrational properties of phenanthrene are measured at high pressures up to 30.2 GPa by Raman spectroscopy and synchrotron x-ray diffraction techniques. Two phase transitions are observed in raman spectra under pressures of 2.3 GPa and 5.4 GPa with significant changes of intermolecular and intramolecular vibrational modes, and all the raman peaks disappeared in the luminesce background above 10.2 GPa. Upon further compression above 20.0 GPa, three broad bands are observed respectively around 1600, 2993 and 3181 cm −1 in Raman spectra, strongly indicating that phenanthrene has transformed into amorphous hydrogenated carbon. Based on x-ray diffraction, the structures of corresponding phases observed in Raman spectra are identified with space group of P21 for phase I at 0-2.2 GPa, P2/m for phase II at 2.2-5.6 GPa and P2/m+Pmmm for phase III at 5.6-11.4 GPa , and the structure above 11.4 GPa is identified with space group of Pmmm. Although phenanthrene has amorphized above 20.0 GPa, the amorphous hydrogenated carbon clusters still remain the crystalline characteristic based on x-ray diffraction patterns. Our results suggest that the long-range periodicity and the local disorder state coexist in phenanthrene at high pressures.

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“…Refs. [9,28,56,58,59,60,61]). Without going through a review of all the extensive theoretical literature on the subject, we highlight in Fig.…”

Section: A Paradigmatic Modelmentioning

confidence: 99%

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

Fratini

Mayou

Ciuchi

2016

Adv Funct Materials

325

452

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Charge transport in crystalline organic semiconductors is intrinsically limited by the presence of large thermal molecular motions, which are a direct consequence of the weak van der Waals inter-molecular interactions. These lead to an original regime of transport called transient localization, sharing features of both localized and itinerant electron systems. After a brief review of experimental observations that pose a challenge to the theory, we concentrate on a commonly studied model which describes the interaction of the charge carriers with inter-molecular vibrations. We present different theoretical approaches that have been applied to the problem in the past, and then turn to more modern approaches that are able to capture the key microscopic phenomenon at the origin of the puzzling experimental observations, i.e. the quantum localization of the electronic wavefuntion at timescales shorter than the typical molecular motions. We describe in particular a relaxation time approximation which clarifies how the transient localization due to dynamical molecular motions relates to the Anderson localization realized for static disorder, and allows us to devise strategies to improve the mobility of actual compounds. The relevance of the transient localization scenario to other classes of systems is briefly discussed.

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Electron–phonon coupling in negatively charged acene- and phenanthrene-edge-type hydrocarbon crystals

Cited by 74 publications

References 52 publications

Superconductivity at 5 K in alkali-metal-doped phenanthrene

Superconductivity at 5 K in alkali-metal-doped phenanthrene

Structural and vibrational properties of phenanthrene under pressure

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

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