Sep 3, 2024 · We performed a detailed study of the intrinsic electronic structure of YRu 2 Si 2 employing angle-resolved photoemission spectroscopy (ARPES) and density-functional theory (DFT) based first-principles calculations. Electrical and magnetic measurements were conducted on well-oriented high-quality single crystals.

Oct 15, 2021 · The superconducting compound YRu 2 P 2 has been studied in detail for the first time by performing first-principles calculations on its structural adjustment, band gap, optical response, mechanical, and thermodynamic properties. All computations are performed using the CASTEP code, which employs DFT and the PBE-GGA exchange–correlation ...

Apr 23, 2018 · Here, we report a Laves phase intermetallic bulk catalyst, YRu 2, which has higher electron density on Ru. This is derived from large electron transfer from Y to Ru, which is first confirmed by X-ray absorption fine structure measurements and theoretical calculations.

在这里，我们报道了Laves相金属间本体催化剂YRu 2，它在Ru上具有更高的电子密度。 这源于从Y到Ru的大量电子转移，这首先通过X射线吸收精细结构测量和理论计算得到证实。

YRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Y–Ru bond distances ranging …

Jan 1, 1999 · In summary, our study of U doped YRu 2 Si 2 alloys well agrees with the previous (U,La)Ru 2 Si 2 results [1] in that CEF excitations are necessary to explain the properties of dilute U samples and that the Kondo interaction is also present in dilute U alloys.

Feb 18, 2015 · Heat treatment at 1200 °C gave the phases: (Ru), ~YRu 2, ~YNi 2, ~YNi 3, ~YNi 4, ~YNi 5 and (Y). The higher formation temperature of ~YNi 2 in the ternary was seen in both the liquidus projection and the isothermal section at 1200 °C and is due to the stabilization by Ru.

The structural, electronic, optical, and thermodynamic properties of the YRu2P2 superconductor are investigated theoretically using the CASTEP (Cambridge Serial Total Energy Package) code, which utilizes an ultra-soft pseudopotential USP plane wave and a Perdew Burke Ernzerhof (PBE) exchange–correlation functional of the Generalized Gradient Ap...

YRu 2 P 2的结构、电子、光学和热力学性质使用 CASTEP（剑桥串行总能量包）代码从理论上研究超导体，该代码利用超软赝势 USP 平面波和广义梯度近似 (GGA) 的 Perdew Burke Ernzerhof (PBE) 交换相关函数。

Explore the Frank-Kasper phase, Friauf-Laves phase crystalline lattice structure of YRu2 with lattice parameters, 3d interactive image of unit cell, cif file, lattice constants & more.