No Arabic abstract
We have studied the vibrational properties of CO adsorbed on platinum and platinum-ruthenium surfaces using density-functional perturbation theory within the Perdew-Burke-Ernzerhof generalized-gradient approximation. The calculated C-O stretching frequencies are found to be in excellent agreement with spectroscopic measurements. The frequency shifts that take place when the surface is covered with ruthenium monolayers are also correctly predicted. This agreement for both shifts and absolute vibrational frequencies is made more remarkable by the frequent failure of local and semilocal exchange-correlation functionals in predicting the stability of the different adsorption sites for CO on transition metal surfaces. We have investigated the chemical origin of the C-O frequency shifts introducing an orbital-resolved analysis of the force and frequency density of states, and assessed the effect of donation and backdonation on the CO vibrational frequency using a GGA + molecular U approach. These findings rationalize and establish the accuracy of density-functional calculations in predicting absolute vibrational frequencies, notwithstanding the failure in determining relative adsorption energies, in the strong chemisorption regime.
Group-10 transition metal dichalcogenides (TMDs) are rising in prominence within the highly innovative field of 2D materials. While PtS2 has been investigated for potential electronic applications, due to its high charge-carrier mobility and strong layer-dependent bandgap, it has proven to be one of the more difficult TMDs to synthesise. In contrast to most TMDs, Pt has a significantly more stable monosulfide, the non-layered PtS. The existence of two stable platinum sulfides, sometimes within the same sample, has resulted in much confusion between the materials in the literature. Neither of these Pt sulfides have been thoroughly characterised as-of-yet. Here we utilise time-efficient, scalable methods to synthesise high-quality thin films of both Pt sulfides on a variety of substrates. The competing nature of the sulfides and limited thermal stability of these materials is demonstrated. We report peak-fitted X-ray photoelectron spectra, and Raman spectra using a variety of laser wavelengths, for both materials. This systematic characterisation provides a guide to differentiate between the sulfides using relatively simple methods which is essential to enable future work on these interesting materials.
Spin transfer torque (STT) driven by a charge current plays a key role in magnetization switching in heavy-metal/ferromagnetic-metal structures. The STT efficiency defined by the ratio between the effective field due to STT and the current density, is required to be improved to reduce energy compulsions in the STT-based spintronic devices. In this work, using the harmonic Hall measurement method, we experimentally studied the STT efficiency in platinum(Pt)/FM structures as a function of the Pt thickness. We found that the STT efficiency strongly depends on the Pt thickness and reaches a maximum value of 4.259 mT/($10^6$A/$cm^{2}$) for the 1.8-nm-thickness Pt sample. This result indicates that competition between spin Hall effect (SHE) and Rashba effect as well as spin diffusion process across the Pt layer determines the Pt thickness for the maximum STT efficiency. We demonstrated the role played by the spin diffusion besides the spin current generation mechanisms in improvement of the STT efficiency, which is helpful in designing STT-based devices.
Using first principles simulations we perform a detailed study of the structural, electronic and transport properties of monoatomic platinum chains, sandwiched between platinum electrodes. First we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as the chains are stretched. Secondly, we find that the conductance at equilibrium atomic spacing does not oscillate with the number of atoms $n$ in the chain, but instead decreases almost monotonically with $n$. In contrast, the conductances of chains of fixed $n$ oscillate as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.
We report the ac magnetic susceptibility, electrical resistance, and X-ray diffraction measurements of platinum hydride (PtHx) in diamond anvil cells, which reveal its superconducting transition. At 32 GPa, when PtHx is in a P63/mmc structure, PtHx exhibits superconducting transition at 6.7 K and superconducting transition temperature (Tc) decreases with pressure to 4.8 K at 36 GPa. The observed T c is higher than that of powdered Pt by more than three orders of magnitude. It is suggested that hydrides of noble metals have higher Tc than the elements.
Highly conductive molecular junctions were formed by direct binding of benzene molecules between two Pt electrodes. Measurements of conductance, isotopic shift in inelastic spectroscopy and shot noise compared with calculations provide indications for a stable molecular junction where the benzene molecule is preserved intact and bonded to the Pt leads via carbon atoms. The junction has a conductance comparable to that for metallic atomic junctions (around 0.1-1 Go), where the conductance and the number of transmission channels are controlled by the molecules orientation at different inter-electrode distances.