相关论文: Designing Pu Intermetallics with First Principle C…
The design and synthesis of targeted functional materials have been a long-term goal for material scientists. Although a universal design strategy is difficult to generate for all types of materials, however, it is still helpful for a…
Magnetism, when combined with an unconventional electronic band structure, can give rise to forefront electronic properties such as the quantum anomalous Hall effect, axion electrodynamics, and Majorana fermions. Here we report the…
we present the temperature-dependent elastic constants of two ductile rare-earth intermetallic compounds YAg and YCu with CsCl-type B2 structure by using a first-principles approach. The elastic moduli as a function of temperature are…
We introduce new type of ferromagnets, CaN and SrN, which were designed using first-principles calculations. These are half-metallic ferromagnets and they have magnetic moments of 1 $\mu_{\rm B}$ per chemical formula unit. Out of the…
First principles calculations of the vibrational, thermodynamic and mechanical properties of the Ni-Ti-Sn Heusler and half-Heusler compounds have been performed. First, we have calculated the Raman and infrared spectra of NiTiSn, providing…
The structural, elastic and electronic properties of ReN are investigated by first-principles calculations based on density functional theory. Two competing structures, i.e., CsCl-like and NiAs-like structures, are found and the most stable…
We have used symmetric normal metal-insulator-superconductor (NIS) tunnel junction pairs, known as SINIS structures, for ultrasensitive thermometry in the temperature range 50 - 700 mK. By Joule heating the electron gas and measuring the…
We present measurements of the magnetic moment and specific heat of single crystals of the spin-chain insulator, Pr3RuO7. The susceptibility indicates that three-dimensional antiferromagnetic order sets in at TN = 54 K, with spin…
The In-Sn binary alloy system exhibits several unusual features that challenge crystallographic and thermodynamic expectations. We combine first principles total energy calculation with simple thermodynamic modeling to address two key…
Resistivity and thermoelectric power (TEP) measurements on CeFe$_2$ and two of its pseudo-binaries Ce(Fe, 5% Ir)$_2$ and Ce(Fe, 7% Ru)$_2$ between 78K and 275K are reported. The resistivity data are analysed in terms of contributions from…
We present the results of electrical resistivity and Hall effect measurements on single crystals of HfNiSn, TiPtSn, and TiNiSn. Semiconducting behavior is observed in each case, involving the transport of a small number of highly…
The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur-hydrogen and other hydrogen-rich systems.…
A total of 5 different half-Heusler alloys, two p-type and two n-type with the fifth a charge compensated alloy have been designed and synthesized. The thermophysical properties of these alloys have been investigated in the range 10 K to…
The Invar effect in ferromagnetic Fe-Ni, Fe-Pt, and Fe-Pd alloys is investigated theoretically by means of a computationally efficient scheme. The procedure can be divided into two stages: study of magnetism and calculations of structural…
The magnetic properties of single crystalline EuPtGe$_3$, crystallizing in the non-centrosymmetric BaNiSn$_3$-type crystal structure, have been studied by means of magnetisation, electrical resistivity, heat capacity and $^{151}$Eu…
Neutron diffraction measurements on a high quality single crystal of CeAu2Ge2 reveal two new magnetic structures that coexist with commensurate long range antiferromagnetic order below the Neel temperature T_N ~ 14 K. The new magnetic…
We report superconductivity in novel iron-based compounds Ca10(PtnAs8)(Fe2-xPtxAs2)5 with n = 3 and 4. Both compounds crystallize in triclinic structures (space group P-1), in which Fe2As2 layers alternate with PtnAs8 spacer layers.…
We report magnetic susceptibility \chi, isothermal magnetization M, heat capacity C_p and electrical resistivity \rho measurements on undoped EuMn2As2 and K-doped Eu0.96K0.04Mn2As2 and Eu0.93K0.07Mn2As2 single crystals with the trigonal…
We studied the properties of the antiferromagnetic (AFM) UNi0.5Sb2 (TN \approx 161 K) compound in Sb-flux grown single crystals by means of measurements of neutron diffraction, magnetic susceptibility ({\chi}), specific heat (Cp),…
The High Nitrogen Martensitic Stainless Steel (HNMS) was subjected to three different austenitizing cycles of 1050$^\circ$C, 1075$^\circ$C and 1100$^\circ$C followed by subzero treatment at -70$^\circ$C. The fraction of retained austenite…