Related papers: Temperature-dependent elastic properties of binary…
Cubic rocksalt structured transition-metal carbides, nitrides, and related alloys (TMC/Ns) are attractive for a wide variety of applications, notably as hard, wear-resistant material. To-date, valence electron concentration (VEC) is used as…
Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to Ni$_{50}$Mn$_{34}$In$_{16}$ magnetic superelastic composition. The paper reports the…
As personal electronic devices increasingly rely on cloud computing for energy-intensive calculations, the power consumption associated with the information revolution is rapidly becoming an important environmental issue. Several approaches…
Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal$-$element alloys. We present phase and property analysis of quinary…
Densities, $\rho$, speeds of sound, $c$, and refractive indices, $n_{\text{D}}$, have been measured for the systems N,N-dimethylformamide (DMF) + propanone, + 2-butanone, or + 2-pentanone in the temperature ($T$) range from 293.15 to 303.15…
Single-crystal elastic moduli, Cij, and the B1-B2 phase transition of NaCl were investigated experimentally, using time-domain Brillouin scattering (TDBS), and theoretically, via density-functional-theory (DFT), to 41 GPa. Thus, we largely…
The high entropy alloy containing refractory metals Mo-Nb-Ta-W has a body centered cubic structure, which is not surprising given the complete mutual solubility in BCC solid solutions of all pairs of the constituent elements. However, first…
Third-order elastic coefficients (TOECs) have been measured experimentally and tabulated with pretty good accuracy since the middle of the previous century. In the classical acoustic measurement method the recalculation of instantaneous…
Using density functional theory (DFT), the structural, mechanical, electronic, thermal, and optical properties of Hf2AB (A = Pb, Bi) borides were studied, considering the pressure effect up to 50 GPa. The lattice constants were found to be…
In this article, we study a thermodynamically consistent thermo-visco-elastic model describing the balance of internal energy in a heat-conducting inelastic body. In the considered problem, the temperature dependence appears in both the…
Rare earth/transition metal (RE/TM) multilayers with perpendicular magnetic anisotropy are key ingredients for the development of spintronic applications. Their compensation temperature depends on the ratio of the thicknesses of rare earth…
We propose an analytical model devoted to explain the anisotropy of the electrical resistance observed below the critical temperature in granular high-Tc superconductors submitted to a magnetic field H. Reported experimental results…
Organic charge transfer salts exhibit thermal expansion anomalies similar to those found in other strongly correlated electron systems. The thermal expansion can be anisotropic and have a non-monotonic temperature dependence. We show how…
We report an ultrasonic investigation of the elastic moduli on a single crystal of hexagonal YMnO_3 as a function of temperature. Stiffening anomalies in the antiferromagnetic N\'eel state below T_N = 72.4 K are observed on all the four…
The emergence of high transition temperature (Tc) superconductivity in strongly correlated materials remains a major unsolved problem in physics. High-Tc materials, such as cuprates, are generally complex and not easily tunable, making…
We derive expressions for classical isothermal and adiabatic elastic constants for periodic systems with the boundary contributions included explicitly. The potential-dependent part of these expressions is written in terms of potential…
High-temperature superconductivity occurs in strongly correlated materials such as copper oxides and iron-based superconductors. Numerous experimental and theoretical works have been done to identify the key parameters that induce…
In this progress report we present a new approach to the ab-initio guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical simulation method in conjunction with experiments. Parameter-free density…
Recently, detailed calculations of the excitonic insulator phase model adapted to the case of 1\textit{T}-TiSe$_2$ have been presented. Through the spectral function theoretical photoemission intensity maps can be generated which are in…
In the present study we have investigated the structural properties, electronic band dispersion, elastic constants, acoustic behavior, phonon spectrum, optical properties, and a number of thermophysical parameters of binary topological…