Unusual Compression Behavior of Columbite TiO2 via First-Principles Calculations

The physical mechanisms behind the reduction of the bulk modulus of a high-pressure cubic TiO2 phase are confirmed by first-principles calculations. An unusual and abrupt change occurs in the dependence of energy on pressure at 43 GPa, indicating a pressure-induced phase transition from columbite TiO2 to a newly-identified modified fluorite TiO2 with a Pca21 symmetry. Oxygen atom displacement in Pca21 TiO2 unexpectedly reduces the bulk modulus by 34% relative to fluorite TiO2. This discovering provides a direct evidence for understanding the compressive properties of such groups of homologous materialsComment: [email protected] or [email protected]

Ab initio study of the formation of transparent carbon under pressure

A body-centered tetragonal carbon (bct-Carbon) allotrope has been predicted to be a transparent carbon polymorph obtained under pressure. The structural transition pathways from graphite to diamond, M-Carbon, and bct-Carbon are simulated and the lowest activation barrier is found for the graphite-bct transition. Furthermore, bct-Carbon has higher shear strength than diamond due to its perpendicular graphene-like structure. Our results provide a possible explanation for the formation of a transparent carbon allotrope via the cold compression of graphite. We also verify that this allotrope is hard enough to crack diamond.Comment: [email protected] or [email protected]

Device modeling of superconductor transition edge sensors based on the two-fluid theory

In order to support the design and study of sophisticated large scale transition edge sensor (TES) circuits, we use basic SPICE elements to develop device models for TESs based on the superfluid-normal fluid theory. In contrast to previous studies, our device model is not limited to small signal simulation, and it relies only on device parameters that have clear physical meaning and can be easily measured. We integrate the device models in design kits based on powerful EDA tools such as CADENCE and OrCAD, and use them for versatile simulations of TES circuits. Comparing our simulation results with published experimental data, we find good agreement which suggests that device models based on the two-fluid theory can be used to predict the behavior of TES circuits reliably and hence they are valuable for assisting the design of sophisticated TES circuits.Comment: 10pages,11figures. Accepted to IEEE Trans. Appl. Supercon

Effects of Vanadium doping on BaFe2As2

We report an investigation of the structural, magnetic and electronic properties of Ba(Fe(1-x)V(x))2As2 using x-ray, transport, magnetic susceptibility and neutron scattering measurements. The vanadium substitutions in Fe sites are possible up to 40\%. Hall effect measurements indicate strong hole-doping effect through V doping, while no superconductivity is observed in all samples down to 2K. The antiferromagnetic and structural transition temperature of BaFe2As2 is gradually suppressed to finite temperature then vanishes at x=0.245 with the emergence of spin glass behavior, suggesting an avoided quantum critical point (QCP). Our results demonstrate that the avoided QCP and spin glass state which were previously reported in the superconducting phase of Co/Ni-doped BaFe2As2 can also be realized in non-superconducting Ba(Fe(1-x)V(x))2As2.Comment: 5 pages, 6 figure