Related papers: Magnetically-driven structural phase transition in…
We investigated the conical magnetic state of a uniaxial chiral helimagnet Yb(Ni$_{1-x}$Cu$_x$)$_3$Al$_9$ induced in magnetic fields applied along the $c$ axis, which coincides with the helical axis at zero field. Using resonant X-ray…
Going beyond a recently proposed microscopic model for the incommensurate transition in the spin-Peierls TiOX (X=Cl, Br) compounds, in the present work we start by studying the thermodynamics of the model with XY spins and adiabatic…
We study geometrically frustrated antiferromagnets with magnetoelastic coupling. Frustration in these systems may be relieved by a structural transition to a low temperature phase with reduced lattice symmetry. We examine the statistical…
The molecular dynamics of solid benzene are extremely complex; especially below 77 K, its inner mechanics remain mostly unexplored. Benzene is also a prototypical molecular crystal that becomes energetically frustrated at low temperatures…
Highly-strained BiFeO3 exhibits a "tetragonal-like, monoclinic" crystal structure found only in epitaxial films (with an out-of-plane lattice parameter exceeding the in-plane value by >20%). Previous work has shown that this phase is…
We investigated structural changes, phase diagram, and vibrational properties of hydrogen hydrate in filled-ice phase C2 by using first principles molecular dynamics simulation. It was found that the experimentally reported 'cubic'…
High-entropy spinel oxides provide an excellent platform for investigating entropy-stabilized correlated systems with strong configurational disorder. In this work, we systematically study the temperature evolution of the structural and…
Results of high resolution x-ray diffraction experiments are presented for single crystals of the spin gap compound BaCuSi$_2$O$_6$ in the temperature range from 16 to 300 K. The data show clear evidence of a transition from the room…
We investigate the structural stability and magnetic properties of cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an…
Structural, magnetic, electrical transport, and heat capacity data are reported for single crystals of TlFe1.6Se2. This compound crystallizes in a tetragonal structure similar to the ThCr2Si2 structure, but with vacancies in the Fe layer.…
The compounds, Gd6Co1.67Si3 and Tb6Co1.67Si3, recently reported to form in a Ce6Ni2Si3-derived hexagonal structure (space group: P6_3 / m) and to order magnetically below 295 and 190 K respectively, have been investigated by detailed…
Y$_{0.9}$Gd$_{0.1}$Fe$_{2}$, which crystallizes in a C15 cubic structure, can absorb up to 5 H/f.u. and its pressure-composition isotherm displays a multiplateau behavior related to the existence of several hydrides with different crystal…
Based on evolutionary crystal structure searches in combination with ab initio calculations, we predict an unusual structural phase of the superconducting LaH$_{10}$ that is stable from about 250 GPa to 425 GPa pressure. This new phase…
Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite TbBaCo2O5.5 in the temperature range of 7-370 K. There have been observed several magnetic or structural transitions. Among these, the…
At ambient pressure CaFe2As2 has been found to undergo a first order phase transition from a high temperature, tetragonal phase to a low temperature orthorhombic / antiferromagnetic phase upon cooling through T ~ 170 K. With the application…
The Prototypical magnetic memory shape alloy Ni$_2$MnGa undergoes various phase transitions as a function of temperature, pressure, and doping. In the low-temperature phases below 260 K, an incommensurate structural modulation occurs along…
Magnetic state is a partial ordered state if only part of the electrons in the system give contribution to the magnetic order. We study Heisenberg model of two sublattice spin system, on the body-centered cubic lattice, with…
The low-temperature crystal structure of Fe1.13Te, which exhibits an anomalous two-step magnetic transition, was clarified by the systematic x-ray diffraction measurements. It was found that two-step structural phase transition,…
We report high pressure structural phase transformation sequence in a layered Iron-based superconducting compound FeSe0.3Te0.7 to 31 GPa at room temperature. The ambient pressure PbO type tetragonal phase (Space Group - P4/nmm) transforms…
Thin films and heterostructures of hexagonal manganites as promising multiferroic materials have attracted a considerable interest recently. We report structural transformations of high quality epitaxial h-TMO/YSZ(111) films, analyzed by…