Related papers: A pseudo-binary interdiffusion study in the beta-N…
Hole formation in a polycrystalline Ni film on an $\alpha$-Al$_2$O$_3$ substrate coupled with a continuum diffusion analysis demonstrates that Ni diffusion along the Ni/$\alpha$-Al$_2$O$_3$ interface is surprisingly fast. Ab initio…
Increasing attention is being paid to $\alpha$$_2$ Ti$_3$(Al,Sn) precipitation from the $\alpha$ phase of titanium alloys owing to its effect on slip band formation, localisation and the implications for fatigue performance in jet engine…
Many strongly correlated materials are characterized by deeply intertwined charge and spin order. Besides their high superconducting transition temperatures, one of the central features of these complex patterns in cuprates is a phase shift…
We study the diffusivity of a tagged particle in a binary mixture of Brownian particles with non-reciprocal interactions. Numerical simulations reveal that, for a broad class of interaction potentials, non-reciprocity can significantly…
In the present work, we perform a systematic investigation on p-type codoping in (Ga,Mn)As. Through gradually increasing Zn doping concentration, the hole concentration increases, which should theoretically lead to an increase of the Curie…
TiFe intermetallic compound has been extensively studied, owing to its low cost, good volumetric hydrogen density, and easy tailoring of hydrogenation thermodynamics by elemental substitution. All these positive aspects make this material…
We report a breakdown of the scaling of the antiferromagnetic transition temperature T_N on chemical doping for Pt-doped CaFe2As2. The substitution of Pt is ineffective in the reduction of antiferromagnetic ordering as well as in inducing…
The theoretical discovery of new and stable 2D penta materials has stimulated the technological advancement due to the anticipated exotic properties of such structure, including the recent $\alpha$ phase and $\beta$ phase of penta-NiPS…
The transition temperature between the low-temperature alpha phase of tin to beta tin is close to the room temperature (Tab =13C), and the difference in cohesive energy of the two phases at 0 K of about dEcoh=0.02 eV/atom is at the limit of…
Is it possible to increase Tc by constructing cuprate heterostructures, which combine the high pairing energy of underdoped layers with the large carrier density of proximate overdoped layers? We investigate this question within a model…
Metal-to-insulator transitions (MIT) can be driven by a number of different mechanisms, each resulting in a different type of insulator -- Change in chemical potential can induce a transition from a metal to a band insulator; strong…
We report annealing induced exchange bias in Fe-Cu-Pt based heterostructures with Cu as an intermediate layer (Fe/Cu/Pt heterostructure) and capping layer (Fe/Pt/Cu heterostructure). Exchange bias observed at room temperature (300 K) is…
We report an enhancement of the anomalous Nernst effect (ANE) in Ni/Pt (001) epitaxial superlattices. The transport and magneto-thermoelectric properties were investigated for the Ni/Pt superlattices with various Ni layer thicknesses (${\it…
Diffusion-driven processes are important phenomena of materials science in the field of energy conversion and transmission. During the conversion from chemical energy to electrical energy, the species diffusion is generally linked to the…
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…
The fusion dynamic mechanism of heavy-ions at energies near the Coulomb barrier is complicated and still not very clear up to now. Accordingly, a self-consistent method based on the CCFULL calculations has been developed and applied for an…
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…
The transformation between the metallic ($\beta$) and semi-conducting ($\alpha$) allotropes of tin is still not well understood. The phase transition temperature stated in the literature, 286.2 K, seems to be inconsistent with recent…
Quantum mechanical calculations had been previously applied to predict phase stability in many ternary and multinary nitride systems. While the predictions were very accurate for the Ti-Al-N system, some discrepancies between theory and…
Proton exchange membrane fuel cells hold promise as energy conversion devices for hydrogen-based power generation and storage. However, the slow kinetics of the oxygen reduction at the cathode imposes the need for highly active catalysts,…