相关论文: Designing Pu Intermetallics with First Principle C…
The properties of non-interacting $\sigma$ and $\pi^{0}$ mesons are studied at finite temperature, chemical potential and in the presence of a constant magnetic field. To do this, the energy dispersion relations of these particles,…
The stability of Cr, V, Al carbide MAX phases, materials of interest for a variety of magnetic as well as high temperature applications, has been studied using density-functional-theory first-principles calculations. The enthalpy of mixing…
The ternary intermetallic compound Pr6Ni2Si3, is a member of a structure series of compounds based on a triangular structure where the number of Pr atoms in the prism cross section can be systematically varied. Pr6Ni2Si3 contains two…
Envisaging antiferromagnetic spintronics pivots on two key criteria of high transition temperature and tuning of underlying magnetic order using straightforward application of magnetic field or electric current. Here, we show that NiSi…
Actinide materials play a special role in condensed matter physics, spanning behaviours of itinerant d-electron and localized 4f-electron materials. An intermediate state, found notably in Pu-based materials whose 5f electrons are neither…
The noncentrosymmetric superconductors LaPdSi3 and LaPtSi3 have been studied with magnetization, specific heat, resistivity and muon spin rotation/relaxation (muSR) measurements. These crystallize in the tetragonal BaNiSn3 structure and…
Off-stoichiometric Ni$_2$MnIn Heusler alloys have drawn recent attention due to their large magnetocaloric entropy change associated with the first-order magneto-structural transition. Here we present crystal structural, calorimetric and…
Ultraviolet-photoemission (UPS) measurements and supporting specific-heat, thermal-expansion, resistivity and magnetic-moment measurements are reported for the magnetic shape-memory alloy Ni$_2$MnGa over the temperature range $100K < T <…
Ni-Mn based ternary Heusler compounds have drawn attentions lately as significant magneto-caloric effects in some of them have been observed. Substitution of Ni and Mn by other $3d$ transition metals in controlled quantity have turned out…
We study isothermal magnetization processes in the Cu-Al-Mn intermetallic alloy. Hysteresis is observed at temperatures below the spin-freezing of the system. The characteristics of the hysteresis cycles as a function of temperature and Mn…
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 temperature and pressure dependent electrical resistivity rho(T,P) studies have been performed on BaMn2As2 single crystal in the 4.2 to 300 K range upto of 8.2 GPa to investigate the evolution of its ground state properties. The rho(T)…
Several studies in the near-Earth environment show that intermittent structures are important sites of energy dissipation and particle energization. Recent Parker Solar Probe (PSP) data, sampled in the near-Sun environment, have shown that…
In this paper, we have presented the density functional theory (DFT) based calculations performed within the first-principles pseudopotential method to investigate the physical properties of the newly discovered superconductor LaRu2As2 for…
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…
We apply the pseudopotential density functional perturbation theory approach along with the quasiharmonic approximation to calculate the thermal expansion of tungsten and two important metallic alloys, NiAl and PdTi. We derive the theory…
We investigate the evolution of magnetized protoneutron stars (PNSs) through four schematic stages: neutrino trapped, deleptonization, neutrino transparent, and the final cold, catalyzed neutron star (NS). Using a quasi static approximation…
A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a…
This paper reports formation enthalpies of phases in the Al-Mn-Pd ternary alloy system as calculated from first principles using electronic density functional theory. We consider all crystal structures as reported in the assessed phase…
Superconductors have the potential to revolutionize technology due to their ability to have zero electrical resistance. However, superconductor materials require either low temperatures or high pressures to function in a superconductive…