Materials Science -- Poland

An interdisciplinary journal devoted to Microsystem Electronics and Photonics

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Peierls Phonons in Organic Molecular Crystals and in Charge Transfer Salts

A. Girlando¹, M. Masino¹, A. Brillante², R.G. Della Valle², E. Venuti²
¹ Dip. Chimica G.I.A.F. and INSTM-UdR Parma, Parma University, Parma, Italy
² Dip. Chimica Fisica ed Inorg. and INSTM-UdR Bologna, Bologna University, Italy

Abstract

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-tetrathiaful- valene (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 a 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.

Accepted Papers

Current Issue

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Peierls Phonons in Organic Molecular Crystals and in Charge Transfer Salts

Abstract

Highly Conducting Organic Composites Obtained by Charge Transfer Reaction in the Solid State

New Organic Electroluminescent Materials

Effects of Coulomb Interactions in Electron Transport Through Short Molecular Chains

Spin Transport Through Nanostructures

Spin-dependent Transport and Inter-wall Coupling in Carbon Nanotubes

Scaling Organic Transistors: Materials and Design

Weak Antilocalization and Spin Relaxation in Integrable Quantum Dots

Electron-electron Correlations in (BEDT-TTF)2I3 Organic Superconductors

Manipulation of Electron Spin in a Quantum Dot Using a Magnetic Field and Voltage Gates

Semiconducting Dye-functionalised Poled Polymers for Photovoltaic Applications

Formation of the Kondo Resonance in Two-atom Molecular Systems for Various Interaction Limits

Quantum Networks in the Presence of the Rashba Effect and a Magnetic Field

Spectral and Microscopic Examinations of Metalloporphyrin-labelled Polymers on Different Substrates

Electron Transport Through Single Molecular Wires

Reflectivity Spectra of Some Conducting BETS Salts

Phase Transitions in β-(BEDT-TTF)2XF6 (X = P, Sb or As) Salts as Seen by Raman Spectroscopy

Spin-dependent Transport Through a Double Dot System

Spectral Studies of New Organic Conductors Based on TTF Derivatives with Polymeric Isocyanuric Acid Anions

High-pressure Optical Study of the Neutral Ionic Phase Transition in TTF-CA

Quantum Oscillation Measurements on the Organic Superconductor Θ-(BEDT-TTF)2I3

Optical Properties of the One-dimensional Organic Conductors β-(EDT-TTF-I2)2(Pb5/6 1/6I2)3 and β-(EDT-TTF-I2)2(Pb2/3+xAg1/3-2x xI2)3, x = 0.05

Some New Findings in τ-phase Organic Conductors

Effective Exchange Interaction in Tunnelling Junctions Based on a Quantum Dot with Non-collinear Magnetic Moments of the Leads

Polymeric Photovoltaic Devices

Zone Casting a Universal Method of Preparing Oriented Anisotropic Layers of Organic Materials

Influence of Interface Spin-flip Processes on Spin Accumulation and Spin Currents in Magnetic Multilayers

Spin-dependent Transport in Ferromagnetic Single-electron Transistors with Non-collinear Magnetizations

On the Localization of Electrons in Disordered Molecular Wires

Synthesis of Gold Nanoparticles in the Solid-state by Thermal Decomposition of an Organometallic Pprecursor

A New Organic Metal with Thedithiooxalato-bridged Anion Network, β''-(ET)2{[NMe3Ph]NaCr(C2S2O2)3(MeCN)}

Electron-electron Correlations in (BEDT-TTF)₂I₃ Organic Superconductors

Phase Transitions in β-(BEDT-TTF)₂XF₆ (X = P, Sb or As) Salts as Seen by Raman Spectroscopy

Quantum Oscillation Measurements on the Organic Superconductor Θ-(BEDT-TTF)₂I₃

Optical Properties of the One-dimensional Organic Conductors β-(EDT-TTF-I₂)₂(Pb_5/6 _1/6I₂)₃ and β-(EDT-TTF-I₂)₂(Pb_2/3+xAg_1/3-2x _xI₂)₃, x = 0.05

A New Organic Metal with Thedithiooxalato-bridged Anion Network, β''-(ET)₂{[NMe₃Ph]NaCr(C₂S₂O₂)₃(MeCN)}