Related papers: Soft Manifold Dynamics Behind Negative Thermal Exp…
Origin and composition dependence of the anisotropic thermomechanical properties are elucidated for Ba1-xSrxZn2Si2O7 (BZS) solid solutions. The high-temperature phase of BZS shows negative thermal expansion (NTE) along one crystallographic…
The origin of negative thermal expansion (NTE) in the bond frustrated ZnCr2Se4 has been explored. ESR and FTIR document an ideal paramagnetic state above 100 K, below which ferromagnetic clusters coexist with the paramagnetic state down to…
Understanding various macroscopic pressure-volume-temperature properties of materials on the atomistic level has always been an ambition for physicists and material scientists. Particularly, some materials such as zirconium tungstate…
A limited number of 2D and 3D materials under a constant pressure contract in volume upon heating isobarically; this anomalous phenomenon is known as the negative thermal expansion (NTE). In this paper, the NTE anomaly is observed in 1D…
The transition-metal dicyanides M(CN)$_2$ (M = Zn, Cd) are amongst the most important negative thermal expansion (NTE) materials known, favoured for the magnitude, isotropy, and thermal persistence of the NTE behaviour they show. The…
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…
We use a combination of variable-temperature / variable-pressure neutron powder diffraction, variable-pressure inelastic neutron scattering, and quantum chemical calculations to interrogate the behaviour of the negative thermal expansion…
Investigation of transport and magnetic properties of MnTe at low temperatures sInvestigation of transport and magnetic properties of MnTe at low temperatures showed anomalies like negative coefficient of resistance below 100K and a sharp…
We investigate the thermal expansion and superconducting properties of a CuAl2-type (tetragonal) superconductor CoZr2 under high pressures. We perform high-pressure synchrotron X-ray diffraction in a pressure range of 2.9 GPa < P < 10.4 GPa…
We report ab-inito density functional theory calculation of phonons in cubic phase of ZrW2O8 in the entire Brillouin zone and identify specific anharmonic phonons that are responsible for large negative thermal expansion (NTE) in terms of…
We investigate the temperature dependence of the pressure-induced softening in the negative thermal expansion material Zn(CN)$_2$ using neutron powder diffraction and molecular dynamics simulations. Both the simulation and experiment show…
Results of a series of molecular dynamics simulations of cubic siliceous zeolites suggest that pressure-induced softening -- the phenomenon in which a material becomes progressively more compressible under pressure -- is likely to be a…
In the paper we report the modeling and design of material which has a negative thermal expansion (NTE). The basic assumption is a potential between the atoms in the material can be approximated by a Lennard-Jones potential (6-12) and the…
The hydration and ammonization of ZrW2O8 is known to lead to positive and negative thermal expansion behaviour respectively. We report ab-initio calculations to understand this anomalous behaviour. We identify the crucial low energy phonon…
We use first-principles theory to show that the ingredients assumed to be essential to the occurrence of negative thermal expansion (NTE) -- rigid unit phonon modes with negative Gr\"{u}neisen parameters -- are neither sufficient nor…
The in-plane coefficient of thermal expansion (CTE) for CdSe nanoplatelets with the zinc-blende structure containing from two to five monolayers is calculated from first principles within the quasiharmonic approximation. A comparison of the…
We discovered unique uniaxial negative thermal expansion (NTE) behavior for a weak-itinerant-ferromagnetic phase of CoZr$_{2}$H$_{3.49}$. CoZr$_{2}$ is known as a superconductor exhibiting uniaxial NTE along the $c$-axis, which is called…
Thermal expansion is a problem in many technological applications and its control represents a challenge in materials design. In this Letter, after studying the correlation between thermal expansion, cubic-to-rhombohedral transition and…
The rare physical property of negative thermal expansion (NTE) is intriguing because materials with large NTE over a wide temperature range can serve as high-performance thermal expansion compensators. However, applications of NTE are…
The common wisdom that volume decreases with pressure and increases with temperature is analyzed in terms of Hillert nonequilibrium thermodynamics in the present work. It is shown that the derivative of volume to pressure in a stable system…