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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…

Superconductivity · Physics 2009-10-13 Yu-Zhong Zhang , Hem C. Kandpal , Ingo Opahle , Harald O. Jeschke , Roser Valenti

We present a combined high-resolution x-ray diffraction and x-ray resonant magnetic scattering (XRMS) study of as-grown BaFe2As2. The structural/magnetic transitions must be described as a two-step process. At T_S = 134.5 K we observe the…

We present temperature-dependent in-plane resistivity measurements on FeSe single crystals under He-gas pressure up to 800 MPa and magnetic fields $B \leq$ 10 T. A sharp phase transition anomaly is revealed at the tetragonal-to-orthorhombic…

Superconductivity · Physics 2015-06-11 S. Knöner , D. Zielke , S. Köhler , B. Wolf , Th. Wolf , L. Wang , A. Böhmer , C. Meingast , M. Lang

The existing controversy about the room temperature structure of multiferroic Pb(Fe_1/2Nb_1/2)O_3 is settled using synchrotron powder x-ray diffraction data. Results of Rietveld refinements in the temperature range 300 to 12K reveal that…

Materials Science · Physics 2007-06-06 Satendra Pal Singh , Dhananjai Pandey , Songhak Yoon , Sunggi Baik , Namsoo Shin

We report measurements of structural phase transition of four parent compounds $R$FeAsO ($R$ = La, Sm, Gd, and Tb) by means of low-temperature X-ray diffraction (XRD). Magnetic transition temperatures associated with Fe ions ($T_{N1}$) are…

A magneto-structural phase transition is investigated in single crystal CrN thin films grown by rf plasma molecular beam epitaxy on MgO(001) substrates. While still within the vacuum environment following MBE growth, $\it in-situ$…

High pressure x-ray diffraction up to 30 GPa and resonant emission x-ray spectroscopy and partial fluorescence yield x-ray absorption spectroscopy up to 52 GPa were used to study how the structural and electronic properties of UTe$_2$…

The structural and magnetic phase transitions of the ternary iron arsenides SrFe2As2 and EuFe2As2 were studied by temperature-dependent x-ray powder diffraction and 57-Fe Moessbauer spectroscopy. Both compounds crystallize in the tetragonal…

A rapid and anisotropic modification of the Fermi-surface shape can be associated with abrupt changes in crystalline lattice geometry or in the magnetic state of a material. In this study we show that such an electronic topological…

Neutron diffraction experiments have been carried out on a Sn-flux grown BaFe2As2 single crystal, the parent compound of the A-122 family of FeAs-based high-Tc superconductors. A tetragonal to orthorhombic structural phase transition and a…

We have grown single crystals of Fe1+dTe by a conventional self-flux method. We obtained plate-like single crystals with dnom \geq 0.1. The value of the magnetization increased with increasing excess Fe concentration, and a broadening of…

Superconductivity · Physics 2013-01-18 Yoshikazu Mizuguchi , Kentaro Hamada , Osuke Miura

Superconductivity under pressure in FeSe ($T_{\rm c}$$\sim$7.5 K) has been investigated using single-crystal specimens through the measurements of DC magnetization and electrical resistivity. A characteristic three-step increase in $T_{\rm…

We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed' tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2…

Strongly Correlated Electrons · Physics 2009-03-27 D. A. Tompsett , G. G. Lonzarich

Using x-ray powder diffraction technique at various temperatures and applied magnetic fields, we have studied the magnetostructural properties of Ce(Fe0.95Si0.05)2. The x-ray diffraction data establish quantitative relationships between…

Strongly Correlated Electrons · Physics 2010-05-21 Arabinda Haldar , Niraj K. Singh , Ya. Mudryk , K. G. Suresh , A. K. Nigam , V. K. Pecharsky

The changes in magnetic properties of Ce(Fe0.9Co0.1)2 compound with increasing disorder are discussed in the paper. Homogeneous alloys are known to undergo the phase transition from ferromagnetic to antiferromagnetic state accompanied by…

Materials Science · Physics 2026-03-30 Andrzej Musiał , Maria Pugaczowa-Michalska , Natalia Lindner , Zbigniew Śniadecki

TbFe$_{2}$D$_{4.2}$ deuteride crystallizes in a monoclinic structure ($Pc$ space group) with deuterium inserted into 13 [Tb$_{2}$Fe$_{2}$] and 5 [TbFe$_{3}$] tetrahedral interstitial sites. Its structural evolution versus temperature has…

Materials Science · Physics 2026-03-18 V. Paul-Boncour , O. Isnard

The structural transition at about 1000 {\deg}C, from the hexagonal to the orthorhombic phase of LuFeO3, has been investigated in thin films of LuFeO3. Separation of the two structural phases of LuFeO3 occurs on a length scale of…

Materials Science · Physics 2016-06-13 Shi Cao , Xiaozhe Zhang , Kishan Sinha , Wenbin Wang , Jian Wang , Peter A. Dowben , Xiaoshan Xu

Structural phase transformations of [110] electric field cooled Pb(Mg1/3Nb2/3)O3-30%PbTiO3 (PMN-30%PT) crystals have been performed by x-ray diffraction in a field-cooled (FC) condition. A phase sequence of…

Materials Science · Physics 2009-11-11 Hu Cao , Feiming Bai , Naigang Wang , Jiefang Li , D. Viehland , Guangyong Xu , Gen Shirane

Single crystal neutron and high-energy x-ray diffraction have identified the phase lines corresponding to transitions between the ambient-pressure tetragonal (T), the antiferromagnetic orthorhombic (O) and the non-magnetic collapsed…

The lattice properties at low temperatures of two samples of NdFeAsO1-xFx (x=0.05 and 0.25) have been examined in order to investigate possible structural phase transition that may occur in the optimally doped superconducting sample with…