Elastic properties of 4d transition metal alloys: Values and trends
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.12.027
Abstract: Abstract Using the Exact Muffin-Tin Orbitals method within the Perdew-Burke-Ernzerhof exchange-correlation approximation for solids and solid surfaces (PBEsol), we study the single crystal elastic constants of 4d transition metals (atomic number Z between 39 and… read more here.
Keywords: elastic properties; transition metal; properties transition; metal alloys ... See more keywords
Magnetic properties of 3d, 4d, and 5d transition-metal atomic monolayers in Fe/TM/Fe sandwiches: Systematic first-principles study
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2021.168828
Abstract: Previous studies have accurately determined the effect of transition metal point defects on the properties of bcc iron. The magnetic properties of transition metal monolayers on the iron surfaces have been studied equally intensively. In… read more here.
Keywords: magnetic properties; transition metal; transition; metal atomic ... See more keywords
Crystal structures and electronic properties in 3d transition metal doped SrRuO3.
Sign Up to like & getrecommendations! Published in 2019 at "Dalton transactions"
DOI: 10.1039/c9dt00432g
Abstract: The synthesis of polycrystalline samples of B-site doped SrRu1-xMxO3 with x≤ 0.2 by solid state methods is described for a number of dopants (M = Mg, Mn, Fe, Co, Ni, Cu, or Zn) and the… read more here.
Keywords: transition metal; properties transition; crystal structures; metal doped ... See more keywords
Tunable optical properties of transition metal dichalcogenide nanoparticles synthesized by femtosecond laser ablation and fragmentation
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Materials Chemistry C"
DOI: 10.1039/d2tc05235k
Abstract: Manipulation of resonant dielectric nanostructures is of paramount importance for next-generation photonic devices. Traditionally, researchers use two-dimensional or phase-change materials for this purpose. However, the former leads to small efficiency,... read more here.
Keywords: transition metal; metal dichalcogenide; properties transition; dichalcogenide nanoparticles ... See more keywords
Computational insight into magnetic behavior and properties of the transition metal complexes with redox-active ligands: a DFT approach
Sign Up to like & getrecommendations! Published in 2018 at "Pure and Applied Chemistry"
DOI: 10.1515/pac-2017-0803
Abstract: Abstract Various aspects related to the use of DFT method for the study of magnetic, geometry and energetic properties of transition metal complexes with redox-active ligands are considered. Particular attention is given to the correct… read more here.
Keywords: transition metal; properties transition; complexes redox; metal complexes ... See more keywords