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Register a new userCrystal Structure of BaFe2Se3 as a Function of Temperature and Pressure: Phase Transition Phenomena and High-Order Expansion of Landau Potential
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BaFe2Se3 (Pnma, CsAg2I3-type structure), recently assumed to show superconductivity at ~ 11 K, exhibits a pressure-dependent structural transition to the CsCu2Cl3-type structure (Cmcm space group) around 60 kbar, as evidenced from pressure-dependent synchrotron powder diffraction data. Temperature-dependent synchrotron powder diffraction data indicate an evolution of the room-temperature BaFe2Se3 structure towards a high symmetry CsCu2Cl3 form upon heating. Around 425 K BaFe2Se3 undergoes a reversible, first order isostructural transition, that is supported by the differential scanning calorimetry data. The temperature-dependent structural changes occur in two stages, as determined by the alignment of the FeSe4 tetrahedra and corresponding adjustments of the positions of Ba atoms. On further heating, a second order phase transformation into the Cmcm structure is observed at 660 K. A rather unusual combination of isostructural and second-order phase transformations is parameterized within phenomenological theory assuming high-order expansion of Landau potential. A generic phase diagram mapping observed structures is proposed on the basis of the parameterization.
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BaFe2Se3 is a potential superconductor material exhibiting transition at 11 K and ambient pressure. Here we extended the structural and performed electrical resistivity measurements on this compound up to 51 GPa and 20 GPa, respectively, in order to distinguish if the superconductivity in this sample is intrinsic to the BaFe2Se3 phase or if it is originating from minor FeSe impurities that show a similar superconductive transition temperature. The electrical resistance measurements as a function of pressure show that at 5 GPa the superconducting transition is observed at around 10 K, similar to the one previously observed for this sample at ambient pressure. This indicates that the superconductivity in this sample is intrinsic to the BaFe2Se3 phase and not to FeSe with Tc > 20 K at these pressures. Further increase in pressure suppressed the superconductive signal and the sample remained in an insulating state up to the maximum achieved pressure of 20 GPa. Single-crystal and powder X-ray diffraction measurements revealed two structural transformations in BaFe2Se3: a second order transition above 3.5 GPa from Pnma (CsAg2I3-type structure) to Cmcm (CsCu2Cl3-type structure) and a first order transformation at 16.6 GPa. Here, {gamma}-BaFe2Se3 transforms into {delta}-BaFe2Se3 (Cmcm, CsCu2Cl3-type average structure) via a first order phase transition mechanism. This transitions is characterized by a significant shortening of the b lattice parameter of {gamma}-BaFe2Se3 (17%) and accompanied by an anisotropic expansion in the orthogonal ac plane at the transition point.
Orthorhombic (space group: Pnma) Nb2P5 is a high-pressure phase that is quenchable to ambient pressure, which could viewed as the zigzag infinite P chain-inserted NbP2. We report herein the high-pressure crystal growth of Nb2P5 and the discovery of its superconducting transition at Tc ~ 2.6 K. The electrical resistivity, magnetization, and specific heat capacity measurements on the high-quality crystal unveiled a conventional type-II weakly coupled s-wave nature of the superconductivity, with the upper critical field Hc2(0) ~ 0.5 T, the electron-phonon coupling strength {lambda}ep ~ 0.5 - 0.8, and the Ginzburg-Landau parameter k{appa} ~ 100. The ab initio calculations on the electronic band structure unveiled nodal-line structures protected by different symmetries. The one caused by band inversion, for example, on the {Gamma}-X and U-R paths of the Brillouin zone, likely could bring nontrivial topology and hence possible nontrivial surface state on the surface. The surface states on the (100), (010) and (110) surfaces were also calculated and discussed. The discovery of the phosphorus-rich Nb2P5 superconductor would be instructive for the design of more metal phosphides superconductors which might host unconventional superconductivity or potential technical applications.
We report the direct imaging of a novel modulated flux striped domain phase in a nearly twin-free YBCO crystal. These domains arise from instabilities in the vortex structure within a narrow region of tilted magnetic fields at small angles from the in-plane direction. By comparing the experimental and theoretically derived vortex phase diagrams we infer that the stripe domains emerge from a first order phase transition of the vortex structure. The size of domains containing vortices of certain orientations is controlled by the balance between the vortex stray field energy and the positive energy of the domain boundaries. Our results confirm the existence of the kinked vortex chain phase in an anisotropic high temperature superconductor and reveal a sharp transition in the state of this phase resulting in regular vortex domains.
The pressure dependencies of the magnetic and superconducting transitions, as well as that of the superconducting upper critical field are reported for single crystalline EuRbFe$_4$As$_4$. Resistance measurements were performed under hydrostatic pressures up to 6.21 GPa and in magnetic fields up to 9 T. Zero-field-cool magnetization measurements were performed under hydrostatic pressures up to 1.24 GPa under 20 mT applied field. Superconducting transition temperature, $T_text c$, up to 6.21 GPa and magnetic transition temperature, $T_text M$, up to 1.24 GPa were obtained and a pressure-temperature phase diagram was constructed. Our results show that $T_text c$ is monotonically suppressed upon increasing pressure. $T_text M$ is linearly increased up to 1.24 GPa. For the studied pressure range, no signs of the crossing of $T_text M$ and $T_text c$ lines are observed. The normalized slope of the superconducting upper critical field is gradually suppressed with increasing pressure, which may be due to the continuous change of Fermi-velocity $v_F$ with pressure.
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range above 17 GPa. In this structure, doubly degenerated optical phonon modes, in which the neighboring silicon atoms oscillate alternately in a silicon plane, show prominently strong interaction with the conduction electrons. In addition there exists a softened optical mode (out-of-plan motion of silicon atoms), whose strength of the electron-phonon interaction is nearly the same as the above mode. The density of states at the Fermi level in the AlB$_2$ structure is higher than that in the trigonal structure. These findings and the estimation of the transition temperature strongly suggest that higher $T_{rm c}$ is expected in the AlB$_2$ structure than the trigonal structures which are known so far.
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