Related papers: Predicting the Curie temperature in substitutional…

By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…

Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless…

The preparative method, characterization and magnetic susceptibility \chi measurements versus temperature T of the heavy fermion transition metal oxide LiV_{2}O_{4} are reported in detail. The intrinsic \chi(T) shows a nearly T-independent…

We study the interatomic exchange interactions and Curie temperatures in half-metallic semi Heusler compounds NiCrZ (Z=P, Se, Te) and NiVAs. The study is performed within the framework of density functional theory. The calculation of…

CePd_1-xRh_x alloys exhibit a continuous evolution from ferromagnetism (T_C= 6.5 K) at x = 0 to a mixed valence (MV) state at x = 1. We have performed a detailed investigation on the suppression of the ferromagnetic (F) phase in this alloy…

We report the mechanisms of atomic ordering in Fe$_{1-x}$Pt$_{x}$ alloys using density functional theory (DFT) and machine-learning interatomic potential Monte Carlo (MLIP-MC) simulations. We clarified that the formation enthalpy of the…

We investigate the ground state properties of Invar alloys via detailed study of the electronic structure of Fe$_{1-x}$Ni$_x$ alloys ($x$ = 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.9) employing $x$-ray photoelectron spectroscopy (XPS). While all the…

We studied the temperature dependence of resistivity in a single crystalline Nd2Fe14B using a newly developed high temperature probe. This novel probe uses mechanical pin connectors instead of conducting glue/paste. From warming and cooling…

We present a comprehensive and systematic magnetization and ac susceptibility study of Mn$_{1-x}$Fe$_{x}$Si over an extensive range of ten Fe concentrations between $x$ = 0 - 0.32. With increasing Fe substitution, the critical temperature…

We present the study of magnetic and transport properties of Pb(1-x-y-z)Mn(x)Sn(y)Eu(z)Te. AC magnetic susceptibility measurements as well as transport characterization were performed. The obtained results indicate that the presence of two…

Anomalous magnetic and transport properties observed in the La0.8-xEuxSr0.2MnO3 (0.04 l.e x l.e. 0.36) compounds are presented in this paper. The Curie temperature (TC) decreases from 260 K for x = 0.04 to 188 K for x = 0.16 and…

Motivated by interest in the elastic properties of high strength amorphous metals, we examine the elastic properties of select crystalline phases. Using first principles methods, we calculate elastic moduli in various chemical systems…

We searched for stable crystal structures of YFe$_{12}$ using a crystal structure prediction technique based on a genetic algorithm and first-principles calculations. We obtained two monoclinic $C2/m$ structures as metastable phases that…

Tailoring and improving material properties by alloying is a long-known and used concept. Recent research has demonstrated the potential of ab initio calculations in understanding the material properties at the nanoscale. Here we present a…

First-principles studies were performed on two Mn-based ferrimagnetic Heusler compounds with L21 and B2 structures, that is, Mn2VZ (Z = Al or Ga). The aim was to investigate their magnetic properties, electronic structures, and…

We study the low-temperature electrical and thermal conductivity of CoSi and Co$_{1-x}$M$_x$Si alloys (M = Fe, Ni; $x \leq$ 0.06). Measurements show that the low-temperature electrical conductivity of Co$_{1-x}$Fe$_{x}$Si alloys decreases…

The magnetic properties tuning and volume dependence in the series of quaternary full Heusler alloys with formula Co2Cr1-xYGa (Y = Ti, V, Mn, Fe, Co, Ni) were studied with a detailed first-principles exploration. We employ the density…

Combining density-functional theory calculations with a classical Monte Carlo method, we show that for B2-type FeCo compounds tetragonal distortion gives rise to a strong reduction of the Curie temperature $T_{\mathrm{C}}$. The…

Existence of anisotropic Curie temperature materials [E. R. Callen, Phys. Rev. 124, 1373 (1961)] is a longstanding prediction - materials that become paramagnetic along certain crystal directions at a lower temperature while remaining…

We propose a ferromagnetic/ferroelectric hybrid double quantum well structure, and present an investigation of the Curie temperature (Tc) modulation in this quantum structure. The combined effects of applied electric fields and spontaneous…