Related papers: On the thermal expansion in MgSiN$_{2}$
Van der Waals heterostructures such as graphene/MoS$_2$ are promising candidates for plenty of optical or electronic applications, owing to advanced properties inherited from the constitutional atomic layers. Thermal expansion is an…
Electronic heat capacity was calculated for a mesoscopically disordered s-wave superconductor treated as a spatial ensemble of domains with a continuously varying superconducting properties. The domains are assumed to have sizes larger than…
Ultrathin layers of semiconducting molybdenum disulfide (MoS2) offer significant prospects in future electronic and optoelectronic applications. Although an increasing number of experiments bring light into the electronic transport…
Heat transport in two-dimensions is fundamentally different from that in three dimensions. As a consequence, the thermal properties of 2D materials are of great interest, both from scientific and application point of view. However, few…
The simplest anharmonic characteristics of Ir and Rh are discussed in the framework of a previously developed simple pseudopotential model which describes the elastic moduli, phonon spectra and the lattice heat capacity in the harmonic…
Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature range. While most…
An anisotropic lattice anomaly near the superconducting transition temperature, Tc, was observed in MgB2 by high-resolution neutron powder diffraction. The a-axis thermal expansion becomes negative near Tc, while the c-axis thermal…
Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative ({\alpha}V = -51 x…
We report the measurement of the global thermal expansion coefficient of a confined Bose gas of $^{87}\rm Rb$ in a harmonic potential around the Bose-Einstein condensation transition temperature. We use the concept of global thermodynamic…
Unlike in many other semiconductors, the band gap of PbTe increases considerably with temperature. We compute the thermoelectric transport properties of n-type PbTe from first principles including the temperature variation of the electronic…
Metal-organic frameworks often display large positive or negative thermal expansion coefficients. MOF-74, a material envisioned for many applications does not display such a behavior. For this system, temperature-dependent x-ray diffraction…
Compounds containing magnetic subsystems representing simple model spin systems with weak magnetic coupling constants are ideal candidates to test theoretical predictions for the generic behavior close to quantum phase transitions. We…
In this work, we investigate the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes using first-principles calculations. Hf2CO2 is found to exhibit a thermal conductivity better than MoS2 and…
In the realm of thermal expansion determination, the quasiharmonic approximation (QHA) stands as a widely embraced method for discerning minima of free energies across diverse temperatures such that the temperature dependence of lattice…
We derive a compact matrix expression for the linear thermal expansion coefficients (TECs) for a general orthorhombic system which relates the elastic properties and the integrated quantities based on deformation and mode dependent…
Room and high temperature mechanical properties of reactive magnetron sputtered TaSiN coatings were measured using nanoindentation (between 25C and 500C). Fracture toughness was also evaluated at a similar temperature range using the…
We present thermal conductivity and specific heat measurements on MgB2 and Mg-AlB2 samples. Thermal properties have been analysed by using a two-gap model in order to estimate the gap amplitudes, D(0)p and D(0)s and the intra-band…
Previous studies indicated that intrinsic point defects play a crucial role for the density of states of ferromagnetic half-metals in the band gap region: At large concentrations, defect-derived bands might close the gap at the Fermi energy…
We have performed density functional calculations on the group II-IV nitride MgSiN$_{2}$. At a pressure of about 20~GPa the ground state wurtzite derived MgSiN$_{2}$ structure (LP-MgSiN$_{2}$) transforms into a rock-salt derived structure…
Thermophotovoltaic (TPV) cells are increasingly attractive for applications in industrial waste heat harvesting, aerospace energy management, and compact power generation. Deploying midwave-infrared (MWIR) TPV in practical applications…