相关论文: Designing Pu Intermetallics with First Principle C…

We have carried out a first principles study of the elastic properties and electronic structure for two room-temperature stable Pt silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. We have calculated all of the equilibrium…

We present an investigation on the intermetallic compound formed by HoCuBi which has a monoclinic crystalline P2 structure with lattice parameters; a = 9:8012(26)A, b = 6:0647(6)A, c = 6:1663(13)A. In this report we performed an extensive…

We have investigated the superconducting ground state of the newly discovered superconductor ThFeAsN with a tetragonal layered crystal structure using resistivity, magnetization, heat capacity and transverse-field (TF) muon-spin rotation…

We report the synthesis of EuPtIn$_{4}$ single crystalline platelets by the In-flux technique. This compound crystallizes in the orthorhombic Cmcm structure with lattice parameters $a=4.542(1)$ \AA, $b=16.955(2)$ \AA$\,$ and $c=7.389(1)$…

We have studied the hard magnetic properties of the low-temperature phase of MnBi with first principle calculations based on the density functional theory. The calculations have been carried out on two distinct unit cell configurations MnBi…

Mn-based nitrides with antiperovskite structures have several properties that can be utilised for antiferromagnetic spintronics. Their magnetic properties depend on the structural quality, composition and doping of the cubic antiperovskite…

Based on its condensed-matter properties, crystal structure, and metallurgy, which includes a phase diagram with six allotropic phases, plutonium is one of the most complicated pure elements in its solid state. Its anomalous properties,…

Polycrystalline HoSn1.1Ge0.9 and DySn1.1Ge0.9 compounds have been studied by means of different experimental probes. Both the compounds are antiferromagnetic and show metamagnetic transition at low temperatures. HoSn1.1Ge0.9 shows a sign…

Single crystals of the single Kagome layer compound FeSn are investigated using x-ray and neutron scattering, magnetic susceptibility and magnetization, heat capacity, resistivity, Hall, Seebeck, thermal expansion, thermal conductivity…

Within 4 different crystal structures, 2280 ternary intermetallic configurations have been investigated via high-throughput density functional theory calculations in order to discover new semiconducting materials. The screening is…

The electronic structure of Au-Sn intermetallic layers of different compositions grown on Au(111) to the thickness of several nanometers has been studied in this work. The layer, interface and the substrate related components in the Au 4$f$…

The density functional theory for superconductors developed in the preceding article [cond-mat/0408685] is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the…

Using the density functional theory (DFT) formulated within the framework of the plane-wave basis projector augmented wave (PAW) method, the temperature-dependent elastic properties of MgRE (RE=Y, Dy, Pr, Sc, Tb) intermetallics with B2-type…

In a superconductor electrons form pairs and electric transport becomes dissipation-less at low temperatures. Recently discovered iron based superconductors have the highest superconducting transition temperature next to copper oxides. In…

Polycrystalline samples of the RE$_{5}$Rh$_2$In$_4$ (RE = Gd--Tm) intermetallics have been investigated by means of X-ray diffraction (XRD) as well as by DC and AC magnetometric measurements. The XRD data confirm that the compounds…

An application of the general equation obtained in Part I to low critical temperature superconductors utilizing an "ad hoc" phononic theory is developed. Then, we arrive to a specific expression for the bounding energy as a function of…

Antiferromagnetic spintronics is an emerging field; antiferromagnets can improve the functionalities of ferromagnets with higher response times, and having the information shielded against external magnetic field. Moreover, a large list of…

We present a detailed density functional theory based calculations of the structural, elastic, lattice dynamical, thermophysical, and optoelectronic properties of ternary semiconductors CaZn$_2$X$_2$ (X = N, P, As) in this paper. The…

The magnetization (M) as a function of temperature (T) from 2 to 300 K and in-plane field (H) up to 1 kOe, room temperature easy and hard direction in-plane field hysteresis loops for fields between -100 and +100 Oe, and 10 GHz…

We experimentally demonstrate the existence of magnetic coupling between two ferromagnets separated by a thin Pt layer. The coupling remains ferromagnetic regardless of the Pt thickness, and exhibits a significant dependence on temperature.…