Related papers: Negative thermal expansion and metallophilicity in…
DFT calculations have been used to provide insights into the origin of the colossal positive and negative thermal expansion in Ag$_3$[Co(CN)$_6]$. The results confirm that the positive expansion within the trigonal basal plane and the…
Local structure in the colossal thermal expansion material Ag$_3$[Co(CN)$_6$] is studied here using a combination of neutron total scattering and reverse Monte Carlo (RMC) analysis. We show that the large thermal variations in cell…
We report a density functional theory (DFT) study of Ag3Co(CN)6, a material noted for its colossal positive and negative thermal expansion, and its giant negative linear compressibility. Here we explicitly include the dispersive interaction…
Negative thermal expansion materials are important and desirable in science and engineering applications. However, natural materials with isotropic negative thermal expansion are rare and usually unsatisfied in performance. Here, we propose…
We characterize perovskite TiF_3, a material which displays significant negative thermal expansion at elevated temperatures above its cubic-to-rhombohedral structural phase transition at 330 K. We find the optical response favors an…
Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF3 occurs in excited states above a ground state tuned very near a structural quantum…
We report the thermal expansion, critical behavior, magnetocaloric effect (MCE), and magnetoresistance ($MR$) on the polycrystalline Mn$_{1.4}$Fe$_{3.6}$Si$_{3}$ compound around the ferromagnetic transition. A large negative volume thermal…
The negative thermal expansion (NTE) mechanism in Cu2O has been characterised via mapping of different Cu2O structural flexibility models onto phonons obtained using ab-initio lattice dynamics. Low frequency acoustic modes that are…
Negative thermal expansion (NTE) is unusual but important property for control of thermal expansion. In the present study, the chemical modification is utilized to engineer controllable thermal expansion in cubic NTE ScF3. A broad window of…
The compositional dependence of thermal expansion behaviour in 19 different perovskite-like metal-organic frameworks (MOFs) of composition [AI][MII(HCOO)3] (A = alkylammonium cation; M = octahedrally-coordinated divalent metal) is studied…
We use a symmetry-motivated approach to analysing X-ray pair distribution functions to study the mechanism of negative thermal expansion in two ReO$_3$-like compounds; ScF$_3$ and CaZrF$_6$. Both average and local structure suggest that it…
We investigate detailed lattice dynamics of copper halides CuX (X=Cl, Br, I) using neutron inelastic scattering measurements and ab-initio calculations aimed at a comparative study of their thermal expansion behavior. We identify the low…
We have devised an isotropic interaction potential that gives rise to negative thermal expansion (NTE) behavior in equilibrium many-particle systems in both two and three dimensions over a wide temperature and pressure range (including zero…
Powder X-ray diffraction (PXRD) and single-crystal neutron scattering were used to study in detail the structural properties of the Cs2CuCl(4-x)Br(x) series, good realizations of layered triangular antiferromagnets. Detailed…
Recently colossal positive volume thermal expansion has been found in the framework compounds Ag3Co(CN)6 and Ag3Fe(CN)6. Phonon spectra have been measured using the inelastic neutron scattering technique as a function of temperature and…
Controlling anisotropy in self-assembled structures enables engineering of materials with highly directional response. Here, we harness the anisotropic growth of ice walls in a thermal gradient to assemble an anisotropic refractory metal…
We present a comprehensive study of the structural properties and the thermal expansion behavior of 17 different Prussian Blue Analogs (PBAs) with compositions MII3[(M')III(CN)6]2.nH2O and MII2[FeII(CN)6].nH2O, where MII = Mn, Fe, Co, Ni,…
We find a design principle for tailoring thermal expansion properties in nearly-spherical molecular networks. Using 2D fullerene networks as a representative system, we realize positive thermal expansion along intermolecular [2\,+\,2]…
Bulk nanocrystalline materials of small and medium ferromagnetic content were produced using severe plastic deformation by high-pressure torsion at roomtemperature. Giant magnetoresistive behavior was found for as deformed materials, which…
In this work, we show that the CuAl2-type superconductor CoZr2 and alloyed systems exhibit anomalous thermal expansion in a wide temperature range. We performed neutron powder diffraction and X-ray powder diffraction on CoZr2 and observed…