Related papers: Negative thermal expansion near two structural qua…
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 negative thermal expansion (NTE) materials, which can act as thermal-expansion compensators to counteract the positive thermal expansion, have great applications merit in precision engineering. However, the exploration of NTE behavior…
Time-of-flight neutron powder diffraction and specific heat measurements were used to study the nature of thermal expansion in rhenium trioxide, an electrically conducting oxide with cubic symmetry. The temperature evolution of the lattice…
The sensitivity of materials properties, particularly those of perovskite oxides, to epitaxial strain has been exploited to great advantage to create materials with new or enhanced properties. Although it has certainly been recognized that…
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]…
The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE)…
Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…
Discovery of topologically protected surface states, believed to be immune to weak disorder and thermal effects, opened up a new avenue to reveal exotic fundamental science and advanced technology. While time-reversal symmetry plays the key…
The thermal expansion coefficient $\alpha$ of MgB$_2$ is revealed to change from positive to negative on cooling through the superconducting transition temperature $T_c$. The Gr\"uneisen function also becomes negative at $T_c$ followed by a…
We report measurements of thermal expansion on a number of polycrystalline CuxTiSe2 samples corresponding to the parts of x - T phase diagram with different ground states, as well as the pressure dependence of the superconducting transition…
The critical fluctuations in SrTiO$_3$ near its $105 K$ structural phase transition were studied with triple axis diffractometry using high energy ($\ge 100 keV$) synchrotron radiation in different SrTiO$_3$ crystals with different oxygen…
While the tetragonal antiferro-electrically distorted (AFD) phase with space group $I4/mcm$ is well known for SrTiO$_3$ to occur below 105 K, there are also some hints in literature of an orthorhombic phase, either at lower temperature at…
X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to…
Newly synthesized perovskite NaOsO3 shows Curie-Weiss metallic nature at high temperature and suddenly goes into an antiferromagnetically insulating state at 410 K on cooling. Electronic specific heat at the low temperature limit is absent,…
Plate-like single crystals of SrFe2As2 as large as 3x3x0.5 mm3 have been grown out of Sn flux. The SrFe2As2 single crystals show a structural phase transition from a high temperature tetragonal phase to a low temperature orthorhombic phase…
Silicon Carbide (SiC) is a wide bandgap semiconductor material recently being used in replacement of traditional semiconductors for high-voltage power device applications. Radiation environments induce defects through displacement damage in…
To further investigate the interplay between ferromagnetism and topological insulators, thin films of the low-carrier topological insulator (Bi$_x$Sb$_{1-x}$)$_2$Te$_3$ were deposited on the insulating ferromagnet EuS (100) in situ. AC…
The counter-intuitive phenomenon of pressure-induced softening in materials is likely to be caused by the same dynamical behaviour that produces negative thermal expansion. Through a combination of molecular dynamics simulation on an…
The halide double perovskite Cs$_2$AgBiBr$_6$ has been proposed as a potential replacement for organic halide perovskites for photovoltaic applications. Further investigation of its dielectric response, optical properties and structural…
The atomic scale dynamics of halide perovskites have a direct impact not only on their thermal stability but their optoelectronic properties. Progress in machine learned potentials has only recently enabled modeling the finite temperature…