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Materials Data on Ca(FeAs)2 by Materials Project

CaFe2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.17 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.31 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+ and four equivalent Fe2+ atoms.

36 MATERIALS SCIENCE↗

Uniaxial compression of [001]-oriented CaFe 2 As 2 single crystals:the effects of microstructure and temperature on superelasticity Part I: Experimental observations

Micropillar compression experiments on [001]-oriented CaFe 2 As 2 single crystals have recently revealed the existence of superelasticity with a remarkably high elastic limit of over 10%. The collapsed tetragonal phase transition, which is a uni-axial contraction process in which As-As bonds are formed across an intervening Ca-plane, is the main mechanism of superelasticity. Usually, superelasticity and the related structural transitions are affected strongly by both the microstructure and the temperature. As such, in this study, we investigated how the microstructure and temperature affect the superelasticity of [001]-oriented CaFe 2 As 2 micropillars cut from solution-grown single crystals, by performing a combination of in-situ cryogenic micromechanical testing and transmission electron microscopy studies. Our results show that the microstructure of CaFe 2 As 2 is influenced strongly by the crystal growth conditions and by subsequent heat treatment. The presence of Ca and As vacancies and FeAs nanoprecipitates affect the mechanical behavior significantly. In addition, the onset stress for the collapsed tetragonal transition decreases gradually as the temperature decreases. These experimental results are discussed primarily in terms of the formation of As-As bonds, which is the essential feature of this mechanism for superelasticity. Our research outcomes provide a more fundamental understanding of the superelasticity exhibited by CaFe 2 As 2 under uni-axial compression.

36 MATERIALS SCIENCE↗

The breakdown of both strange metal and superconducting states at a pressure-induced quantum critical point in iron-pnictide superconductors

Here we report the first observation of the concurrent breakdown of the strange metal (SM) normal state and superconductivity at a pressure-induced quantum critical point in Ca 10 (Pt 4 As 8 )((Fe 0.97 Pt 0.03 ) 2 As 2 ) 5 superconductor. We find that, upon suppressing the superconducting state, the power exponent (α) changes from 1 to 2, and the slope of the temperature-linear resistivity per FeAs layer (A $\Box$ ) gradually diminishes. At a critical pressure, A $\Box$ and superconducting transition temperature (T c ) go to zero concurrently, where a quantum phase transition from a superconducting state with a SM normal state to a non-superconducting Fermi liquid state occurs. Scaling analysis reveals that the change of A $\Box$ with T c obeys the relation of T c ~ (A $\Box$ ) 0.5 , similar to what is seen in other chemically doped unconventional superconductors. These results suggest that there is a simple but powerful organizational principle of connecting the SM normal state with the high-T c superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Minimization of thermal deformation in crystal optics for high repetition-rate FEL

Minimizing thermal deformation in X-ray crystal optics is crucial for preserving coherence and wavefront in high-repetition-rate free-electron lasers (FELs). This study presents two approaches to reduce pulse-by-pulse transient thermal deformation in diamond crystals used in cavity-based X-ray FELs (CBXFELs): (1) cryogenic cooling with liquid nitrogen (LN₂), and (2) second-order correction via focusing optics. We revisit the temperature-dependent thermal-mechanical properties of diamond and silicon, implement a finite-element analysis (FEA) method to accelerate convergence to a quasisteady-state regime. Results show that LN₂-cooled diamond crystals meet the stringent deformation requirement of less than 15 pm RMS for the pulse at mJ scale at 1 MHz repetition frequency, and up to 1.5 mJ for 100 kHz. Second-order correction by using focusing elements within the cavity can reduce the impact of thermal deformation for both liquid nitrogen and water cooling.

free electron laser↗