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Polar distortions in solids give rise to the well-known functionality of switchable macroscopic polarisation in ferroelectrics and, when combined with strong spin-orbit coupling, can mediate giant spin splittings of electronic states. While…

The evolution of magnetic properties of isostructural and isoelectronic solid solutions of the superconducting itinerant 5f-electron ferromagnet UCoGe with antiferromagnet UIrGe was studied by magnetization, AC susceptibility, specific…

On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhombic and tetragonal phases of Ca3Mn2O7 were investigated and…

Materials Science · Physics 2007-08-02 S. F. Matar , V. Eyert , A. Villesuzanne , M. -H. Whangbo

A phase transition is found in Ti$_3$C$_2$T$_x$ MXene at 350 K, by measuring the complex Young's modulus of self-standing thick films. A step-like softening and increase of the mechanical losses is found below 350 K, indicative of a phase…

X-ray diffraction experiments were performed on polycrystalline and single-crystal specimens of Ce$_{2}$Fe$_{17}$ at temperatures between 10 K and 300 K. Below $T_{\mathrm{t}}$ = 118$\pm$2 K, additional weak superstructure reflections were…

The synthesis, structural, magnetic, thermal and transport properties are reported for polycrystalline PrIr3. At room temperature PrIr3 displays the rhombohedral space group R-3m and a PuNi3- type structure. At around 70 K a phase…

Noncollinear metallic antiferromagnets, with their rapid spin dynamics, efficient spin transport, and distinctive spin textures, play a pivotal role in advancing the field of spintronics. In this study, we report a comprehensive…

Controlling the charge carrier density provides an efficient way to trigger phase transitions and modulate the optoelectronic properties in natural materials. This approach could be used to induce topological transitions in the optical…

Single crystals of $(Cd_{1-x} Zn_x)_3 As_2$ were synthesized from high-temperature solutions and characterized in terms of their structural and electrical properties. Based on the measurements of resistivity and Hall signals, we revealed a…

Materials Science · Physics 2017-12-21 Hong Lu , Xiao Zhang , Shuang Jia

The controversies about the structure of the true ground state of pseudorhombohedral compositions of Pb(ZrxTi1-x)O3 (PZT) are addressed using a 6% Sr2+ substituted sample with x=0.550. Sound velocity measurements reveal a phase transition…

The discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ at pressures above 14 GPa has spurred extensive research efforts. Yet, fundamental aspects of the superconducting phase, including the possibility of a filamentary…

The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is…

Materials Science · Physics 2015-06-17 Hyunsu Sim , Bog G. Kim

We report the results of a systematic investigation of the phase diagram of the iron-based superconductor, Ba1-xKxFe2As2, from x = 0 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. The…

We present neutron diffraction, magnetic susceptibility and specific heat data for a single-crystal sample of the cubic (Cu3Au structure) compound Pr3In. This compound is believed to have a singlet (Gamma1) groundstate and a low-lying…

We report x-ray scattering studies of short-range structural correlations and diffuse scattering in Nd0.5Sr0.5MnO3. On cooling, this material undergoes a series of transitions, first from a paramagnetic insulating (PI) to a ferromagnetic…

Condensed Matter · Physics 2009-11-07 V. Kiryukhin , B. G. Kim , T. Katsufuji , J. P. Hill , S-W. Cheong

Recent results have demonstrated an exceptionally high dielectric constant in the range 200 K-330 K in a crystalline tianium oxide : Rb2Ti2O5. In this article, the possibility of a structural transition giving rise to ferroelectricity is…

The superconducting system La2-xBaxCuO4 is known to show a minimum in the transition temperature, Tc, at x = 1/8 where maximal stripe order is pinned by the anisotropy within the CuO2 planes that occurs in the low-temperature-tetragonal…

While the phase diagrams of the one- and multi-orbital Hubbard model have been well studied, the physics of real Mott insulators is often much richer, material dependent, and poorly understood. In the prototype Mott insulator…

Strongly Correlated Electrons · Physics 2018-09-06 Frank Lechermann , Noam Bernstein , I. I. Mazin , Roser Valentí

A comparative theoretical study is presented for the rhombohedral R3 and R3m phase HfO2, of two possible forms in its heavily Zr-doped ferroelectric thin films found recently in experiments. Their structural stability and polarization under…

Materials Science · Physics 2023-07-03 Wenbin Ouyang , Fanghao Jia , Wei Ren

Perovskite oxides are known to exhibit many magnetic, electronic and structural phases as function of doping and temperature. These materials are theoretically frequently investigated by the DFT+U method, typically in their ground state…

Materials Science · Physics 2023-12-12 Thies Jansen , Geert Brocks , Menno Bokdam
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