Static and dynamic Jahn-Teller effect in the alkali metal fulleride salts A4C60 (A = K, Rb, Cs)

We report the temperature dependent mid- and near-infrared spectra of K4C60, Rb4C60 and Cs4C60. The splitting of the vibrational and electronic transitions indicates a molecular symmetry change of C604- which brings the fulleride anion from D2h to either a D3d or a D5d distortion. In contrast to Cs4C60, low temperature neutron diffraction measurements did not reveal a structural phase transition in either K4C60 and Rb4C60. This proves that the molecular transition is driven by the molecular Jahn-Teller effect, which overrides the distorting potential field of the surrounding cations at high temperature. In K4C60 and Rb4C60 we suggest a transition from a static to a dynamic Jahn-Teller state without changing the average structure. We studied the librations of these two fullerides by temperature dependent inelastic neutron scattering and conclude that both pseudorotation and jump reorientation are present in the dynamic Jahn-Teller state.Comment: 13 pages, 10 figures, to be published in Phys. Rev.

The risk assessment of ERTMS-based railway systems from a cyber security perspective: Methodology and lessons learned

The impact that cyber issues might have on the safety and resilience of railway systems has been studied for more than five years by industry specialists and government agencies. This paper presents some of the work done by Adelard in this area, ranging from an analysis of potential vulnerabilities in the ERTMS specifications through to a high-level cyber security risk assessment of a national ERTMS implementation and detailed analysis of particular ERTMS systems on behalf of the GB rail industry. The focus of the paper is on our overall methodology for security-informed safety and hazard analysis. Lessons learned will be presented but of course our detailed results remain proprietary or sensitive and cannot be published

Tuning of competing magnetic and superconducting phase volumes in LaFeAsO$_0.945F_0.055 by hydrostatic pressure

The interplay between magnetism and superconductivity in LaFeAsO_0.945F_0.055 was studied as a function of hydrostatic pressure up to p~2.4GPa by means of muon-spin rotation (\muSR) and magnetization measurements. The application of pressure leads to a substantial decrease of the magnetic ordering temperature T_N and a reduction of the magnetic phase volume and, at the same time, to a strong increase of the superconducting transition temperature T_c and the diamagnetic susceptibility. From the volume sensitive \muSR measurements it can be concluded that the superconducting and the magnetic areas which coexist in the same sample are inclined towards spatial separation and compete for phase volume as a function of pressure.Comment: 4 pages, 4 figure

Microscopic Study of the Superconducting State of the Iron Pnictide RbFe_2As_2

A study of the temperature and field dependence of the penetration depth \lambda of the superconductor RbFe_2As_2 (T_c=2.52 K) was carried out by means of muon-spin rotation measurements. In addition to the zero temperature value of the penetration depth \lambda(0)=267(5) nm, a determination of the upper critical field B_c2(0)=2.6(2) T was obtained. The temperature dependence of the superconducting carrier concentration is discussed within the framework of a multi-gap scenario. Compared to the other "122" systems which exhibit much higher Fermi level, a strong reduction of the large gap BCS ratio 2\Delta/k_B T_c is observed. This is interpreted as a consequence of the absence of interband processes. Indications of possible pair-breaking effect are also discussed.Comment: 5 pages, 4 figure

Interplay of the electronic and lattice degrees of freedom in A_{1-x}Fe_{2-y}Se_{2} superconductors under pressure

The local structure and electronic properties of Rb$_{1-x}$Fe$_{2-y}$Se$_2$ are investigated by means of site selective polarized x-ray absorption spectroscopy at the iron and selenium K-edges as a function of pressure. A combination of dispersive geometry and novel nanodiamond anvil pressure-cell has permitted to reveal a step-like decrease in the Fe-Se bond distance at $p\simeq11$ GPa. The position of the Fe K-edge pre-peak, which is directly related to the position of the chemical potential, remains nearly constant until $\sim6$ GPa, followed by an increase until $p\simeq 11$ GPa. Here, as in the local structure, a step-like decrease of the chemical potential is seen. Thus, the present results provide compelling evidence that the origin of the reemerging superconductivity in $A_{1-x}$Fe$_{2-y}$Se$_2$ in vicinity of a quantum critical transition is caused mainly by the changes in the electronic structure

Magnetic excitations of Fe_{1+y}Se_xTe_{1-x} in magnetic and superconductive phases

We have used inelastic neutron scattering and muon-spin rotation to compare the low energy magnetic excitations in single crystals of superconducting Fe1.01Se0.50Te0.50 and non-superconducting Fe1.10Se0.25Te0.75. We confirm the existence of a spin resonance in the superconducting phase of Fe1.01Se0.50Te0.50, at an energy of 7 meV and a wavevector of (1/2,1/2,0). The non-superconducting sample exhibits two incommensurate magnetic excitations at (1/2,1/2,0)\pm(0.18,-0.18,0) which rise steeply in energy, but no resonance is observed at low energies. A strongly dispersive low-energy magnetic excitation is also observed in Fe1.10Se0.25Te0.75 close to the commensurate antiferromagnetic ordering wavevector (1/2-\delta,0,1/2) where \delta \approx 0.03. The magnetic correlations in both samples are found to be quasi-two dimensional in character and persist well above the magnetic (Fe1.10Se0.25Te0.75) and superconducting (Fe1.01Se0.50Te0.50) transition temperatures.Comment: 10 pages, 4 figure

Interplay of composition, structure, magnetism, and superconductivity in SmFeAs1-xPxO1-y

Polycrystalline samples and single crystals of SmFeAs1-xPxO1-y were synthesized and grown employing different synthesis methods and annealing conditions. Depending on the phosphorus and oxygen content, the samples are either magnetic or superconducting. In the fully oxygenated compounds the main impact of phosphorus substitution is to suppress the N\'eel temperature TN of the spin density wave (SDW) state, and to strongly reduce the local magnetic field in the SDW state, as deduced from muon spin rotation measurements. On the other hand the superconducting state is observed in the oxygen deficient samples only after heat treatment under high pressure. Oxygen deficiency as a result of synthesis at high pressure brings the Sm-O layer closer to the superconducting As/P-Fe-As/P block and provides additional electron transfer. Interestingly, the structural modifications in response to this variation of the electron count are significantly different when phosphorus is partly substituting arsenic. Point contact spectra are well described with two superconducting gaps. Magnetic and resistance measurements on single crystals indicate an in-plane magnetic penetration depth of 200 nm and an anisotropy of the upper critical field slope of 4-5. PACS number(s): 74.70.Xa, 74.62.Bf, 74.25.-q, 81.20.-nComment: 36 pages, 13 figures, 2 table

Effects of Disorder in FeSe : An Ab Initio Study

Using the coherent-potential approximation, we have studied the effects of excess Fe, Se-deficiency, and substitutions of S, Te on Se sub-lattice and Co, Ni and Cu on Fe sub-lattice in FeSe. Our results show that (i) a small amount of excess Fe substantially disorders the Fe-derived bands while Se-deficiency affects mainly the Se-derived bands, (ii) the substitution of S or Te enhances the possibility of Fermi surface nesting, specially in FeSe$_{0.5}$Te$_{0.5}$, in spite of disordering the Se-derived bands, (iii) the electron doping through Co, Ni or Cu disorders the system and pushes down the Fe-derived bands, thereby destroying the possibility of Fermi surface nesting. A comparison of these results with the rigid-band, virtual-crystal and supercell approximations reveals the importance of describing disorder with the coherent-potential approximation.Comment: Redone VCA calculations, and some minor changes. (Accepted for publication in Journal of Physics:Condensed Matter

Specific-heat study of superconducting and normal states in FeSe1-xTex (0.6<=x<=1) single crystals: Strong-coupling superconductivity, strong electron-correlation, and inhomogeneity

The electronic specific heat of as-grown and annealed single-crystals of FeSe1-xTex (0.6<=x<=1) has been investigated. It has been found that annealed single-crystals with x=0.6-0.9 exhibit bulk superconductivity with a clear specific-heat jump at the superconducting (SC) transition temperature, Tc. Both 2Delta_0/kBTc [Delta_0: the SC gap at 0 K estimated using the single-band BCS s-wave model] and Delta C/(gamma_n-gamma_0)Tc [Delta C$: the specific-heat jump at Tc, gamma_n: the electronic specific-heat coefficient in the normal state, gamma_0: the residual electronic specific-heat coefficient at 0 K in the SC state] are largest in the well-annealed single-crystal with x=0.7, i.e., 4.29 and 2.76, respectively, indicating that the superconductivity is of the strong coupling. The thermodynamic critical field has also been estimated. gamma_n has been found to be one order of magnitude larger than those estimated from the band calculations and increases with increasing x at x=0.6-0.9, which is surmised to be due to the increase in the electronic effective mass, namely, the enhancement of the electron correlation. It has been found that there remains a finite value of gamma_0 in the SC state even in the well-annealed single-crystals with x=0.8-0.9, suggesting an inhomogeneous electronic state in real space and/or momentum space.Comment: 22 pages, 1 table, 6 figures, Version 2 has been accepted for publication in J. Phys. Soc. Jp

Low Temperature Magnetic Instabilities in Triply Charged Fulleride Polymers

The electronic properties of the C603- polymer in Na2Rb0.3Cs0.7C60 were studied by X-band and high field (109.056 GHz) ESR. They are characteristic of a strongly correlated quasi-one-dimensional metal down to 45 K. On further cooling, a pseudogap of magnetic origin opens at the Fermi level below 45 K with three-dimensional magnetic ordering occurring below TN≈15K, as confirmed by the observation of an antiferromagnetic resonance mode. The Na2Rb1-xCsxC60 family of polymers offers a unique way to chemically control the electronic properties, as the opening of the gap in this system of predominantly itinerant electrons is an extremely sensitive function of the interchain separation