相关论文: Study of atomic disorder in Ni-V alloys
We have used density functional theory to study the structural stability of surface alloys. Our systems consist of a single pseudomorphic layer of $M_xN_{1-x}$ on the Ru(0001) surface, where $M$ = Fe or Co, and $N$ = Pt, Au, Ag, Cd, or Pb.…
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…
An experimental determination of the magnetic pair distribution function (mPDF) defined in an earlier paper (Frandsen, Yang, and Billinge. (2014) Acta Crystallogr. A, 70(1), 3-11) is presented for the first time. The mPDF was determined…
We have investigated the core issue of atomic lattices in monodispersed Ni nanoparticles (NPs) of sizes 3.8 nm to 10.1 nm using detailed analysis of X-ray diffraction, synchrotron radiation X-ray absorption spectroscopy (XAS) and…
Room temperature powder x-ray diffraction measurements have been carried out on polycrystalline samples of CuxV2O5 with x = 0.33, 0.40, 0.50, 0.55 and 0.60, prepared by solid state reaction in evacuated quartz tubes. All the samples were…
We present a lattice model to study the equilibrium phase diagram of ordered alloys with one magnetic component that exhibits a low temperature phase separation between paramagnetic and ferromagnetic phases. The model is constructed from…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-\delta}$ in the vacancy range $0 \leq \delta \leq 0.23$. The data provide detailed…
The fascinating multiple magnetic states observed in the Ni-Mn-Sn based metamagnetic shape memory alloy are addressed through a combined muon spin relaxation (muSR) and neutron powder diffraction studies. The material used in the present…
The phase coexistence of chemically ordered L1_0 and chemically disordered structures within binary alloys is investigated, using the NiMn system as an example. Theoretical and numerical predictions of the signatures one might expect in…
We present a systematic study of the variations of the ^{7}Li NMR properties versus magnetic defect concentration up to 0.83 mol% within the spinel structure of polycrystalline powder samples and a collection of small single crystals of…
Structural characterization of nanoscale-two-metal-phase systems, which exhibit partial, complete, or no mixing when co-sputtered with a few percent of a minority element, is extremely challenging. Co-sputtering two metals at room…
First-principles, density-functional based electronic structure calculations are carried out for MgC(Ni_{1-x}Co_{x})_{3} alloys over the concentration range 0\leq x\leq1, using Korringa-Kohn-Rostoker coherent-potential approximation (KKR…
The microscopic model of atomic diffusion is considered to describe the short-range order relaxation kinetics within the f.c.c.-Ni-Fe Permalloys. The model takes into account both the discrete and anisotropic characters of atomic jumps…
Neutron scattering has been used to study the nature of the ferromagnetic transition in single crystals of La_0.7Ca_0.3MnO_3 and La_0.8Ca_0.2MnO_3, and polycrystalline samples of La_0.67Ca_0.33MnO_3 and La_5/8Ca_3/8MnO_3 where the naturally…
The atomic pair distribution function (PDF) technique is employed to probe the atomic local structural responses in naturally double layered manganites \lsmo in the doping range $0.54 \leq x \leq 0.80$. Our low temperature neutron powder…
Motivated by the variation in reported lattice parameters of floating-zone-grown Nd$_{2}$Zr$_{2}$O$_{7}$ crystals, we have performed a detailed study of the relationship between synthesis environment, structural disorder, and magnetic…
Elastic neutron scattering experiments performed in semi-conducting La(1-x)Ca(x)MnO3 single crystals (x=0.05, 0.08), reveal new features in the problem of electronic phase separation and metal insulator transition. Below TN, the observation…
Two porous carbon-based samples doped with Au and Co are investigated. The neutron diffraction study reveals an amorphous structure of both samples. The Co-doped sample exhibits a long-range ferromagnetic (FM) ordering at 2.6 K. The NMR…
The storage mechanism and diffusion kinetics of Na$_{3}$V$_{2-x}$Ni$_{x}$(PO$_{4}$)$_{2}$F$_{3}$/C ($x=$ 0--0.07) cathodes are investigated through electrochemical impedance spectroscopy (EIS), galvanostatic intermittent titration technique…
We report the effects of lattice dynamics on thermodynamic stability of binary $R_{1-x}$Fe$_x$ $(0<x<1)$ compounds ($R$: rare-earth elements, Y, Ce, Nd, Sm, and Dy) at finite temperature predicted by first-principles calculation based on…