نتایج جستجو برای: 3d fe
تعداد نتایج: 265299 فیلتر نتایج به سال:
Semiconductors that exhibit room-temperature ferromagnetism are central to the development of semiconductor spintronics. Transition metal (TM)-doped ABC2 are a promising class of such system. These ternary compound semiconductors have two metal sites A and B that can be substituted by the TMs. A site preference for TM incorporation is crucial for a possible explanation of ferromagnetism since d...
This study aims to numerically investigate on the crashworthiness of thin-walled square tubes by consideration of 3-D oblique loading. In this type of loading, direction of loading is defined by using two spatial angles relative to the position of the tube. To this aim, finite element (FE) analysis is employed to simulate the loading for 8 different numerical models with different loading orien...
In this work, the formation of oxygen-vacancy defect in 3d metals-doped TiO2 anatase and rutile structures is first investigated. The systematic calculations of formation energy, crystalline stability, band structure and density of state (DOS) of TiO2 samples of anatase and rutile doped with 3d transition metals with and without oxygen defect is done using FHI-aims as a software package based o...
We systematically investigate the effects of having Pt as a substrate and/or capping layer on the magnetism and magnetocrystalline anisotropy (MCA) of 3d transition metal (TMs; Cr, Mn, Fe, and Co) monolayers (MLs) by using a first-principles calculationl method. We found that Fe and Co MLs are ferromagnetic (FM) on a Pt(001) surface, but Mn and Cr MLs are antiferromagnetic (AFM). The magnetic m...
The transition-metal 3d occupancy of a series of thermoelectric skutterudites is investigated using electron energy-loss spectroscopy. We find that bonding causes an emptying of the 3d states in the binary skutterudites CoP3, CoAs3, CoSb3, and NiP3, while compared to the pure Fe the 3d occupancy in LaFe4P12 is significantly increased, consistent with the idea that each interstitial La atom ratt...
The first porous 3D [Ln-Fe] heterometal-organic frameworks incorporating high-spin Fe(ii) ions were structurally characterized with fascinating 1D channels and higher thermal stability: the robust frameworks still keep intact on removing free H(2)O or adsorbing C(2)H(5)OH, and the luminescence of [Eu-Fe] complex displays selective detection of Mg(2+).
An extensive set of dipole-allowed, intercombination, and forbidden transition probabilities for Fe V is presented. The Breit-Pauli R-matrix (BPRM) method is used to calculate 1.46 × 10 oscillator strengths for the allowed and intercombination E1 transitions among 3,865 fine-structure levels dominated by configuration complexes with n ≤ 10 and l ≤ 9. These data are complemented by an atomic str...
Recent calculations of electron impact excitation rates and Einstein A-coefficients for transitions among the 3d(6) levels of Fe III and among the 3d(2) levels of Fe VII are used to derive theoretical emission line ratios applicable to the optical and infrared spectra of gaseous nebulae. Results for [Fe III] are generated for electron temperatures T(e) = 7,000-20,000 K and densities N(e) = 10(2...
The aim of this study was to elucidate the association between the bone structure at implant insertion sites and stress distribution around the mandibular canal by means of three-dimensional finite element (3D FE) analysis. Four FE models were created with slice data using micro-computed tomography (micro-CT), and 3D FE analysis was performed. Mechanical analysis showed that the load reached th...
In order to examine to what extent the rigid-band-like electron doping scenario is applicable to the transition metal-substituted Fe-based superconductors, we have performed angle-resolved photoemission spectroscopy studies of Ba(Fe(1-x)Ni(x))(2)As(2) (Ni-122) and Ba(Fe(1-x)Cu(x))(2)As(2) (Cu-122), and compared the results with Ba(Fe(1-x)Co(x))(2)As(2) (Co-122). We find that Ni 3d-derived featu...
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