Wetting transition for carbon nanotube arrays under metal contacts.

Structural arrays with nanoscale spacing arise in many device concepts. Carbon nanotube transistors are an extreme example, where a practical technology will require arrays of parallel nanotubes with spacing of order 10 nm or less. We show that with decreasing pitch there is a first-order transition, from a robust structure in which the metal wets the substrate between tubes, to a poorly wetting structure in which the metal rides atop the nanotube array without touching the substrate. The latter is analogous to the superhydrophobic "lotus leaf effect." There is a sharp minimum in the delamination energy of metal contacts at the transition pitch. We discuss implications for contact resistance and possible mitigation strategies.

Carbon nanotube deformation and collapse under metal contacts.

In carbon nanotube transistors, typically part of the nanotube is covered by a metal contact. This covered region plays an important role due to the significant electron transfer length. Here we predict that capillary and van der Waals forces cause the nanotube to deform or even collapse under the metal. Nanotubes are known to collapse when their diameters are above some critical value around 4 nm. Under the metal, we find that spontaneous collapse occurs for diameters down to ∼ 1.5-1.6 nm, close to the range used in high-performance transistors. Even at smaller diameters, we find surprisingly large deformations that could significantly affect the electronic structure.

Schottky-to-Ohmic crossover in carbon nanotube transistor contacts.

For carbon nanotube transistors, as for graphene, the electrical contacts are a key factor limiting device performance. We calculate the device characteristics as a function of nanotube diameter and metal work function. Although the on-state current varies continuously, the transfer characteristics reveal a relatively abrupt crossover from Schottky to Ohmic contacts. We find that typical high-performance devices fall surprisingly close to the crossover. Therefore, tunneling plays an important role even in this regime, so that current fails to saturate with gate voltage as was expected due to "source exhaustion."

Deformation and scattering in graphene over substrate steps.

The electrical properties of graphene depend sensitively on the substrate. For example, recent measurements of epitaxial graphene on SiC show resistance arising from steps on the substrate. Here we calculate the deformation of graphene at substrate steps, and the resulting electrical resistance, over a wide range of step heights. The elastic deformations contribute only a very small resistance at the step. However, for graphene on SiC(0001) there is strong substrate-induced doping, and this is substantially reduced on the lower side of the step where graphene pulls away from the substrate. The resulting resistance explains the experimental measurements.

Phonon-mediated interlayer conductance in twisted graphene bilayers.

Conduction between graphene layers is suppressed by momentum conservation whenever the layer stacking has a rotation. Here we show that phonon scattering plays a crucial role in facilitating interlayer conduction. The resulting dependence on orientation is radically different than previously expected, and far more favorable for device applications. At low temperatures, we predict diode-like current-voltage characteristics due to a phonon bottleneck. Simple scaling relationships give a good description of the conductance as a function of temperature, doping, rotation angle, and bias voltage, reflecting the dominant role of the interlayer beating phonon mode.

Atomic-scale transport in epitaxial graphene.

The high carrier mobility of graphene is key to its applications, and understanding the factors that limit mobility is essential for future devices. Yet, despite significant progress, mobilities in excess of the 2×10(5) cm(2) V(-1) s(-1) demonstrated in free-standing graphene films have not been duplicated in conventional graphene devices fabricated on substrates. Understanding the origins of this degradation is perhaps the main challenge facing graphene device research. Experiments that probe carrier scattering in devices are often indirect, relying on the predictions of a specific model for scattering, such as random charged impurities in the substrate. Here, we describe model-independent, atomic-scale transport measurements that show that scattering at two key defects--surface steps and changes in layer thickness--seriously degrades transport in epitaxial graphene films on SiC. These measurements demonstrate the strong impact of atomic-scale substrate features on graphene performance.

Doping and phonon renormalization in carbon nanotubes.

We show that the Raman frequency associated with the vibrational mode at approximately 1,580 cm(-1) (the G mode) in both metallic and semiconducting carbon nanotubes shifts in response to changes in the charge density induced by an external gate field. These changes in the Raman spectra provide us with a powerful tool for probing local doping in carbon nanotubes in electronic device structures, or charge carrier densities induced by environmental interactions, on a length scale determined by the light diffraction limit. The G mode shifts to higher frequency and narrows in linewidth in metallic carbon nanotubes at large fields. This behaviour is analogous to that observed recently in graphene. In semiconducting carbon nanotubes, on the other hand, induced changes in the charge density only shift the phonon frequency, but do not affect its linewidth. These spectral changes are quantitatively explained by a model that involves the renormalization of the carbon nanotube phonon energy by the electron-phonon interaction as the carrier density in the carbon nanotube is changed.

Orbital ordering in LaMnO3 investigated by resonance Raman spectroscopy.

Orbital ordering leads to an unconventional excitation spectrum that we investigate by resonance Raman scattering using incident photon energies between 1.7 and 5.0 eV. We use spectral ellipsometry to determine the corresponding dielectric function. Our results show resonant behavior of the phonon Raman cross section when the laser frequency is close to the orbiton-excitation energy of 2 eV in LaMnO3. We show an excellent agreement between theoretical calculations based on the Franck-Condon mechanism activating multiphonon Raman scattering in first order of the electron-phonon coupling and the experimental data of phonons with different symmetries.

Optical properties of c-axis oriented superconducting MgB2 films.

Temperature dependent optical conductivities and dc resistivity of c-axis oriented superconducting (T(c) = 39.6 K) MgB2 films (approximately 450 nm) have been measured. The normal state ab-plane optical conductivities can be described by the Drude model with a temperature independent Drude plasma frequency of omega(p,D) = 13 600+/-100 cm(-1) or 1.68+/-0.01 eV. The normal state resistivity is fitted by the Bloch-Grüneisen formula with an electron-phonon coupling constant lambda(tr) = 0.13+/-0.02. The optical conductivity spectra below T(c) of these films suggest that MgB2 is a multigap superconductor.

Franck-condon-broadened angle-resolved photoemission spectra predicted in LaMnO3

The sudden photohole of least energy created in the photoemission process is a vibrationally excited state of a small polaron. Therefore the photoemission spectrum in LaMnO3 is predicted to have multiple Franck-Condon vibrational sidebands. This generates an intrinsic line broadening approximately 0.5 eV. The photoemission spectral function has two peaks whose central energies disperse with bandwidth approximately 1.2 eV. Signatures of these phenomena are predicted to appear in angle-resolved photoemission spectra.