Related papers: First Principles Study of CaFe2As2 "Collapse" Unde…
The crystal structure and electrical resistance of the structurally-layered EuFe2As2 have been studied up to 70 GPa and down to temperature of 10 K, using a synchrotron x-ray source and the designer diamond anvils. The room-temperature…
We report a systematic and ab-initio electronic structure calculation of Ca0.75 M0.25 Fe2 As2 with M = Ca, Sr, Eu, La, Ce, Pr, Nd, Pm, Sm, Na, K, Rb. The recently reported experimentally observed structural trends in rare earths-doped CaFe2…
The interplay between magnetism and crystal structures in three CaFe$_{2}$As$_{2}$ samples is studied. For the nonmagnetic quenched crystals, different crystalline domains with varying lattice parameters are found, and three phases…
Synchrotron x-ray diffraction experiments were performed on BaFe$_2$As$_2$ and Sr(Fe$_{1-x}$Co$_{x}$)$_2$As$_2$ single crystals as a function of temperature and applied magnetic field along the tetragonal $[1 \bar{1} 0]$ direction,…
Using {\it ab initio} molecular dynamics we investigate the electronic and lattice structure of $A$Fe$_2$As$_2$ ($A$=Ca, Sr, Ba) under pressure. We find that the structural phase transition (orthorhombic to tetragonal symmetry) is always…
On experimental side, BaFe$_2$As$_2$ without doping has been made superconducting by applying appropriate pressure (2-6 GPa). Here, we use a full-potential linearized augmented plane wave method within the density-functional theory to…
We report the temperature dependent x-ray powder diffraction of the FeAs-based superconductors in the range between 300 K and 95 K. In the case of NdOFeAs we have detected the structural phase transition from the tetragonal phase, with…
CaFe$_2$As$_2$ has been found to be exceptionally sensitive to the application of hydrostatic pressure and superconductivity has been found to exist in a narrow pressure region that appears to be at the interface between two different phase…
With the proposed Hund's rule correlation picture, i.e. the fluctuating Fe local moments with the As-bridged antiferromagnetic superexchange interactions, the exceptional collapsed tetragonal phase and related phase transitions observed in…
The temperature dependence of in plane optical conductivity has been investigated for Ca0.86Pr0.14Fe2As2 which shows a structural transition from tetragonal (T) to collapsed tetragonal(cT) phase at TcT=73 K. Upon entering the cT phase,…
We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of CaFe2As2 by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While…
We report studies of in-situ x-ray diffraction (XRD) and electronic properties on the single crystalline of Fe1.05Te compound under high pressure. The results demonstrated that the sample undergoes a pressure-induced lattice collapse in…
We investigate the pressure phase diagram of FeTe, predicting structural and magnetic properties in the normal state at zero temperature within density functional theory (DFT). We carefully examined several possible different crystal…
The iron-based pnictide LaFe2As2 is not superconducting as-synthesized, but it becomes such below Tc around 12 K upon annealing, as a consequence of a structural transition from a phase with collapsed tetragonal crystal structure to an…
We have grown single crystal samples of Co substituted CaFe2As2 using an FeAs flux and systematically studied the effects of annealing/quenching temperature on the physical properties of these samples. Whereas the as-grown samples (quenched…
57Fe Mossbauer spectroscopy was used to perform a microscopic study on the extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the…
We have succeeded in growing single crystals of orthorhombic CeT2Al10 (T=Fe, Ru, Os) by Al self-flux method for the first time, and measured the electrical resistivity at pressures up to 8 GPa, the magnetic susceptibility and specific heat…
We have constructed a pressure$-$temperature ($P-T$) phase diagram of $P$-induced superconductivity in EuFe$_2$As$_2$ single crystals, via resistivity ($\rho$) measurements up to 3.2 GPa. As hydrostatic pressure is applied, an…
Aliovalent rare earth substitution into the alkaline earth site of CaFe2As2 single-crystals is used to fine-tune structural, magnetic and electronic properties of this iron-based superconducting system. Neutron and single crystal x-ray…
Polycrystalline samples of underdoped (Ba1-xKx)Fe2As2 (x<=0.4) were synthesized and studied by x-ray powder diffraction, magnetic susceptibility, specific heat and 57Fe-Moessbauer-spectroscopy. The structural phase transition from…