相关论文: Anomalous behavior of the Debye temperature in Fe-…

This paper presents a first-principles study of the Debye-Waller factor and the Debye temperature for amorphous silicon ($a$-Si) from lattice-dynamical calculations and direct molecular-dynamics simulations using density-functional theory…

Ternary iron phosphide EuFe$_2$P$_2$ with ThCr$_2$Si$_2$-type structure has been systematically studied by the measurements of crystal structure, magnetization, M\"{o}ssbauer effect, transport properties and specific heat. The structural…

The temperature dependence of electron spin resonance (ESR) was studied in $EuFe_{2-x}Co_{x}As_2 $ (x = 0.0, 0.067, 0.1, 0.2, 0.25, 0.285, 0.35, 0.4 and 0.5). The ESR spectrum of all the samples indicates that the g factor and peak-to-peak…

A first principles analysis of order-disorder transition in alloys shows that ordering energy is a function of temperature due to thermal vibrations. The inter-nuclear potential energy term converges if zero point vibrations are…

(Ga$_{1-x}$,Fe$_x$)Sb is one of the promising ferromagnetic semiconductors for spintronic device applications because its Curie temperature ($T_{\rm C}$) is above 300 K when the Fe concentration $x$ is equal to or higher than ~0.20.…

A review is presented on physical properties of the sigma-phase in Fe-Cr and Fe-V alloy systems as revealed both with experimental -- mostly with the Mossbauer spectroscopy -- and theoretical methods. In particular, the following questions…

With a generic model for the electron-phonon spectral density, two simple expressions are derived to estimate the transition temperature and gap-to-temperature ratio in conventional superconductors. They entail that on average the numerical…

Detailed 57Fe Mossbauer spectroscopy measurements on superconducting NaFeAs powder samples have been performed in the temperature range 13 K < T < 300 K. The 57Fe spectra recorded in the paramagnetic range (T > TN ~ 46 K) were discussed…

Continuously graded ferromagnetic thin films represent a new class of magnonic materials, where a spin-wave resonance spectrum can be tuned in resonance frequencies/fields, number of modes and even dispersion law by the magnetic properties…

We have employed the generalized Bloch theorem to evaluate the spin stiffness constants of 3$d$ transition metals (bcc-Fe, fcc-Co, and fcc-Ni) within the linear combination of pseudo-atomic orbitals (LCPAO). The spin stiffness constants…

We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu,…

The elastic and magnetic properties, thermodynamical stability, deviation from stoichiometry and order/disorder transformations of phases that are relevant to Be alloys were investigated using density functional theory simulations coupled…

Recently, Ksenofontov et al (arXiv:2510.03256) observed ambient pressure room-temperature superconductivity in graphite intercalated with lithium-based alloys with transition temperature (according to magnetization measurements) $T_c=330$…

In this study methods of statistical thermodynamics were applied to white tin - grey tin equilibrium to find if there is any correlation between Debye temperature of an additive and its effect on the equilibrium. Gibbs free energy of the…

Intermetallic compounds R2Fe17 are perspective for applications as permanent magnets. Technologically these systems must have Curie temperature Tc much higher than room temperature and preferably have easy axis anisotropy. At the moment…

We investigated the magnetic properties of Sendust (Fe-Al-Si) alloys not only at 0 K but also at finite-temperatures by means of the first-principles calculations assuming A2, B2, and DO3 structures. We confirmed that the itinerant…

The increase in the resistivity with decreasing temperature followed by a drop by more than one order of magnitude is observed on the metallic side near the zero-magnetic-field metal-insulator transition in a strongly interacting…

The structural and magnetic properties of Fe$_{1-x}$Ni$_x$~($x$ = 0.32, 0.36, 0.40, 0.50) alloys have been investigated using synchrotron based x-ray diffraction (XRD) technique with x-rays of wavelength 0.63658 \AA\ down to 50 K…

We provide a systematic analysis of finite-temperature magnetic properties of random alloys Fe$_x$Ni$_{1-x}$ with the face-centered-cubic structure over a broad concentration range $x$. By means of the spin-polarized relativistic…

The spin-fluctuation effect in the Se-substituted system Fe$_{1+\delta}$Te$_{1-x}$Se$_x$ ($x$ = 0, 0.05, 0.12, 0.20, 0.28, 0.33, 0.45, 0.48 and 1.00; $0<\delta < 0.12$) has been studied by the measurements of the X-ray diffraction, the…