Related papers: CaFe2As2: a Springboard to Investigating Fe-Pnicti…
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…
The Fe-based superconducting KxFe2-ySe2 (0.6 {\leg} x {\leg} 1, 0.2{\leg} y {\leg} 0.4) compounds, unlike the well-known RFe2As2 (R = Ba, Sr, Ca) superconductors, contain complex structural features and notable physical properties, such as…
CaFe2As2 single crystals under uniaxial pressure applied along the c axis exhibit the coexistence of several structural phases at low temperatures. We show that the room-temperature tetragonal phase is stabilized at low temperatures for…
We perform first principles calculations on CaFe2As2 under hydrostatic pressure. Our total energy calculations show that though the striped antiferromagnetic (AFM) orthorhombic (OR) phase is favored at P=0, a non-magnetic collapsed…
We study the temperature and pressure dependence of the structural and electronic properties of the iron pnictide superconductor BaFe2As2. We use density functional theory based Born-Oppenheimer molecular dynamics simulations to investigate…
The recent discovery and subsequent developments of FeAs-based superconductors have presented novel challenges and opportunities in the quest for superconducting mechanisms in correlated-electron systems. Central issues of ongoing studies…
Single-crystalline KFe2As2 and CaT2As2 (T = Fe, Co, Ni, Cu) are synthesized and investigated by resistivity, susceptibility and optical spectroscopy. It is found that CaCu2As2 exhibits a similar transition to the lattice abrupt collapse…
We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission experiments and dynamical mean field theory-based electronic structure calculations. We observe that the…
The electronic structure and physical properties of the pnictide compound families $RE$OFeAs ($RE$ = La, Ce, Pr, Nd, Sm), $A$Fe$_{2}$As$_{2}$ ($A$ = Ca, Sr, Ba, Eu), LiFeAs and FeSe are quite similar. Here, we focus on the members of the…
Compounds with a tetragonal ThCr$_{2}$Si$_{2}$-type structure are characterized by the possibility of the isostructural phase transition from the tetragonal phase to the collapsed tetragonal phase induced by the external pressure. An…
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…
We use neutron scattering to study the spin and lattice structure on single crystals of SrFe2As2, the parent compound of the FeAs based superconductor (Sr,K)Fe2As2. We find that SrFe2As2 exhibits an abrupt structural phase transitions at…
Platelet-like single crystals of the Ca(Fe1-xCox)2As2 series having lateral dimensions up to 15 mm and thickness up to 0.5 mm were obtained from the high temperature solution growth technique using Sn flux. Upon Co doping, the c-axis of the…
The recently discovered LaFe2As2 superconducting compound, member of the 122 family of iron pnictide superconductors, becomes superconducting below Tc=13K, yet its nominal doping apparently places it in the extreme overdoped limit, where…
Fe-based superconductors exhibit a diverse interplay between charge, orbital, and magnetic ordering1-4. Variations in atomic geometry affect electron hopping between Fe atoms5,6 and the Fermi surface topology, influencing magnetic…
The SrFe2As2-xPx and CaFe2As2-yPy materials were prepared by a solid state reaction method. X-ray diffraction measurements indicate the single-phase samples can be successfully obtained for SrFe2As2-xPx and CaFe2As2-yPy samples. Clear…
The interplay between structural phase and electronic correlations has been an intriguing topic of research. An prominent example is the pressure-induced uncollapsed to collapsed tetragonal phase transition observed in CaFe$_2$As$_2$, which…
We report on doping dependencies of structural parameters and superconducting transition temperatures in the solid solution (Ba1-xKx)Fe2As2. As the main effect of doping on the crystal structure, we find linear decreasing As-Fe-As bond…
By means of first-principles calculations, the electronic structure and chemical bonding for the recently discovered tetragonal (s.g. P4/n; # 85) superconducting (Tc ~ 25K) phase Ca10(Pt4As8)(Fe2As2)5 have been examined in details, and the…
Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…