相关论文: The energetic and structural properties of bcc NiC…
A first-principles based methodology for efficiently and accurately finding thermodynamically stable and metastable atomic structures is introduced and benchmarked. The approach is demonstrated for gas-phase metal-oxide clusters in…
We present inelastic neutron scattering measurements on the intermetallic compounds Ce(Ru$_{1-x}$Fe$_x$)$_2$Ge$_2$ ($x$=0.65, 0.76 and 0.87). These compounds represent samples in a magnetically ordered phase, at a quantum critical point and…
We report the structural, magnetic, and magnetocaloric properties of Co$_2$Cr$_{1-x}$Ti$_x$Al ($x=$ 0--0.5) Heusler alloys for spintronic and magnetic refrigerator applications. Room temperature X-ray diffraction and neutron diffraction…
The Heusler alloys Fe2NiZ (Z=Al, Ga, Si and Ge) have been synthesized and investigated focusing on the phase stability and the magnetic properties. The experimental and theoretical results reveal the covalent bonding originated from p-d…
We explored quinary body-centered cubic (bcc) high-entropy alloy (HEA) superconductors with valence electron concentrations (VECs) ranging from 4.6 to 5.0, a domain that has received limited attention in prior research. Our search has led…
The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well…
Copper (Cu) segregation in medium and high-entropy alloys (M/HEAs) has shown significant influence on alloy properties. In this study, we investigate the effect of Cu segregation on evolution of irradiation-induced defects in FeNiCu, a…
As well known, the cross sections of the resonance and Quasi-Elastic (QE) scattering off nucleons depend on quantities known as form factors that describe the nucleon structure. There are alternative approaches to determine the values of…
We present the results of ab initio modeling of structure of dilute Ti-Fe, a typical representative of quenched Ti-based transition-metal alloys. We have demonstrated that beyond the solubility limit this alloy cannot be described in common…
The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…
Copper and Nickel impurities have been doped into the iron pnictide superconductor Ba0.6K0.4Fe2As2. Resistivity measurements reveal that Cu and Ni impurities suppress superconducting transition temperature T_c with rates of \Delta T_c/Cu-1%…
Using a combination of numerical simulations and atom-probe tomography experiments, we determine the interfacial energy of Cu nanocrystals precipitated within the amorphous matrix of FINEMET (molar composition Fe72.89Si16.21B6.90Nb3Cu1).…
The possibility of solid solution formation in high entropy alloys (HEAs) has been calculated for alloys with four to seven elements, using a rule previously reported. Thirty elements were included: transition elements of the fourth, fifth…
Initial powder mixtures of Cu, Fe and Co are exposed to severe plastic deformation by high-pressure torsion to prepare solid solutions. A broad range of compositions is investigated, whereas this study aims at the synthesis of soft magnetic…
A detailed study has been carried out on $\gamma^\prime$ (AlAg$_2$) precipitates in Al-Ag and Al-Ag-Cu alloys to reconcile the conflicting reports on chemical ordering and stacking faults in this phase. High angle annular dark field…
A large, strongly temperature-dependent Nernst coefficient, $\nu$, is observed between $T$ = 2 K and 300 K for CeCu$_2$Si$_2$ and Ce$_{0.8}$La$_{0.2}$Cu$_2$Si$_2$. The enhanced $\nu(T)$ is determined by the asymmetry of the on-site Kondo…
Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…
We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a…
We have synthesized a new crystallographically ordered quaternary Heusler alloy, MnNiCuSb. The crystal structure of the alloy has been determined by Rietveld refinement of the powder x-ray diffraction data. This alloy crystallizes in the…
A novel low cost, near equi-atomic alloy comprising of Al, Cu, Fe and Mn is synthesized using arc-melting technique. The cast alloy possesses a dendritic microstructure where the dendrites consist of disordered FCC and ordered FCC phases.…