Related papers: Negative thermal expansion in ZnF$_2$
We investigate the topological properties of $N_f = 2+1$ QCD with physical quark masses, both at zero and finite temperature. We adopt stout improved staggered fermions and explore a range of lattice spacings $a \sim 0.05 - 0.12$ fm. At…
Factors that contribute to the temperature dependence of a resonant frequency in a low-expansion optical cavity are discussed, including deformation at the cavity ends due to different coefficients of thermal expansion (CTE) of the spacer,…
Effects of columnar defects created by 320 MeV Au irradiation on 2H-NbSe2 single crystals with a dose equivalent matching field up to 16 T were studied. Critical temperature is found to be suppressed almost linearly at a rate of 0.07 K/T.…
The effect of temperature and density dependence of the asymmetric nuclear matter properties is studied within the extended relativistic mean field (ERMF) model, which includes the contribution from the self and mixed interaction terms by…
The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…
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…
Thermal lattice expansion of the Invar Fe65Ni35 alloy is investigated in first-principles calculations using the spin-wave method, which is generalized here for the ferromagnetic state with short range order. It is shown that magnetic…
X-ray scattering and polarized microscopic studies of the structure and order parameters in the nematic (N) and heliconical, or the twist-bend nematic (Ntb), phase have been performed as a function of temperature. The nematic orientational…
The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…
At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born--Oppenheimer approximation breaks down and the low-lying electronic states are involved in any chemical process. In this work, we use a…
We use temperature dependent neutron powder diffraction (NPD) to investigate the structural changes and magnetic interactions in double perovskite Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0.4 and 0.6). A structural phase transition from tetragonal…
We report measurement of temperature dependence of phonon spectra in quasi one-dimensional metal cyanides MCN (M=Cu, Ag and Au). Ab initio lattice dynamics calculations have been performed to interpret the phonon-spectra as well as to…
The temperature dependence of the solid-liquid interfacial free energy, {\gamma}, is investigated for Al and Ni at the undercooled temperature regime based on a recently developed persistent-embryo method. The atomistic description of the…
We investigate the effect that the temperature dependence of the crystal structure of a two dimensional organic charge-transfer salt has on the low-energy Hamiltonian representation of the electronic structure. For that, we determine the…
The thermal expansion at constant pressure of solid CD$_4$ III is calculated for the low temperature region where only the rotational tunneling modes are essential and the effect of phonons and librons can be neglected. It is found that in…
We theoretically propose possible magnetism-induced negative thermal expansion in honeycomb-lattice antiferromagnets with edge-sharing networks of $MX_6$ octahedra where $M$ and $X$ are transition-metal and ligand ions, respectively. In…
The local atomic structure and lattice dynamics of two isostructural layered transition metal dichalcogenides (TMDs), 1T-TiSe$_2$ and 1T-VSe$_2$, were studied using temperature-dependent X-ray absorption spectroscopy at the Ti, V, and Se…
The thermal evolution of the energies and free energies of a set of spherical and near-spherical nuclei spanning the whole periodic table are calculated in the subtracted finite-temperature Thomas- Fermi framework with the zero-range…
Temperature dependent Ferromagnetic Resonance measurements performed as a function of diameter on Nickel nanowire arrays reveal several interesting features in these systems. With diameter decrease from 100 nm to 15 nm, a transition induced…
UO$_{2}$ and UO$_{2.07}$ were characterized from 25-1000$\,^{\circ}\mathrm{C}$ using neutron total scattering in order to evaluate effects of temperature and phase boundaries on local and average structures. Analyses of unit cell parameters…