Site preference, structural and magnetic properties of La3Co29−xNixSi4B10 predicted by first-principles calculations
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2017.07.008
Abstract: Abstract Adopting the first-principles calculations based on the density functional theory (DFT) with the generalized gradient approximation (GGA) exchange-correlation functional, which are organized in a high-throughput workflow, the structural properties, site preference and magnetic properties… read more here.
Keywords: site preference; magnetic properties; site; principles calculations ... See more keywords
A study of optical properties and site preference of Bi3+/Eu3+ co-doped CaLa4Si3O13 red-emitting phosphors for w-LED applications
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Luminescence"
DOI: 10.1016/j.jlumin.2019.116821
Abstract: Abstract Eu3+ ions are commonly employed as emitting centres for red phosphors, which suffer from the small absorption cross-sections. In this work, Bi3+ ions are used to sensitize Eu3+ ions in CaLa4Si3O13 host as an… read more here.
Keywords: site preference; preference bi3; bi3; bi3 ions ... See more keywords
Site preference, magnetic and electronic properties of half-metallic Vanadium-based full Heusler alloys
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2020.167379
Abstract: Abstract We reported a new atomic site preference occupation for Vanadium-based X2YZ full Heusler alloys. It tells that alloys with less 24 valence electrons form the L21-type structure, while others form the XA-type structure. This… read more here.
Keywords: half metallic; vanadium based; site preference;
Site preference and tetragonal distortion of Heusler alloy Mn-Ni-V
Sign Up to like & getrecommendations! Published in 2019 at "Results in Physics"
DOI: 10.1016/j.rinp.2018.12.096
Abstract: Abstract Site preference, tetragonal distortion and phase stability of all d-metal Heusler alloys Mn2−xNi1.5+xV0.5 (x = 0, 0.5, 1), Mn2−xNi1+xV (x = 0, 0.25, 0.5, 0.75, 1) and Mn2−xNi0.5+xV1.5 (x = 0, 0.5, 1, 1.5) are investigated. It has been found… read more here.
Keywords: heusler; site preference; tetragonal distortion;
Anionic Doping and Cationic Site Preference in CaYb4Al2Sb6- xGe x ( x = 0.2, 0.5, 0.7): Origin of the Enhanced Seebeck Coefficient and the Structural Transformation.
Sign Up to like & getrecommendations! Published in 2019 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.9b00181
Abstract: Three Zintl phase compounds belonging to the CaYb4Al2Sb6- xGe x ( x = 0.2, 0.5, 0.7; nominal compositions) system with various Ge-doping contents were successfully synthesized by arc-melting and were initially crystallized in the Ba5Al2Bi6-type… read more here.
Keywords: type; site preference; cayb4al2sb6 xge; structural transformation ... See more keywords
Site preference and effect on shear deformation of co-alloying elements addition to γ′-Ni3Al phase in Ni-based single crystal superalloys
Sign Up to like & getrecommendations! Published in 2023 at "Integrated Ferroelectrics"
DOI: 10.1080/10584587.2023.2191509
Abstract: Abstract Alloy composition design at the atomic scale is one of the key strategies for Ni-based single crystal superalloys (Ni-SCSs). In this article, the site preference of co-alloying elements Re-M (M: Cr, Mo, W or… read more here.
Keywords: single crystal; alloying elements; based single; site preference ... See more keywords