Theoretical investigation of free-standing CoPd nanoclusters as a function of cluster size and stoichiometry in the Pd-rich phase: Geometry, chemical order, magnetism …
We report on a study of the geometrical structure, magnetic properties, and metallic behavior
of free-standing CoPd nanoclusters with N= 7, 13, 19, 23, and 26 atoms, as a function of …
of free-standing CoPd nanoclusters with N= 7, 13, 19, 23, and 26 atoms, as a function of …
Tailoring the magnetic anisotropy in CoRh nanoalloys
CoRh alloy nanoparticles (NPs) show nontrivial correlations between chemical and
magnetic order that lead to a remarkable nonmonotonous dependence of the magnetic …
magnetic order that lead to a remarkable nonmonotonous dependence of the magnetic …
Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms
Fe x Co y Ni z ternary clusters with x+ y+ z= 5 and 6. Our study is performed within density
functional theory as implemented in the GAUSSIAN 03 set of programs and with the …
functional theory as implemented in the GAUSSIAN 03 set of programs and with the …
Density functional theory study of FePdn (n= 2–14) clusters and interactions with small molecules
L Ma, J Wang, Y Hao, G Wang - Computational materials science, 2013 - Elsevier
First-principles calculations have been conducted to investigate the properties of FePdn (n=
2–14) clusters. In the lowest energy structures of FePdn clusters, the Fe atom gradually …
2–14) clusters. In the lowest energy structures of FePdn clusters, the Fe atom gradually …
Structural and electronic properties of TM23 - pAgp (TM = Ni, Pd, and Pt) clusters in the dilute limit (p = 0–4): A density functional theory investigation
F Aguilera-Granja, MJ Piotrowski… - The European Physical …, 2013 - Springer
We studied the structural, energetic, and electronic properties of free-standing binary
clusters in the dilute limit, TM 23− p Ag p with TM= Ni, Pd, and Pt, and p= 0–4, employing …
clusters in the dilute limit, TM 23− p Ag p with TM= Ni, Pd, and Pt, and p= 0–4, employing …
Structural and electronic properties of Ni26–pXp clusters (X= Pd, Pt): A density-functional-theoretic study
F Aguilera-Granja, LJ Gallego - Journal of Applied Physics, 2013 - pubs.aip.org
We performed density-functional-theoretic calculations to investigate the structural,
energetic, and electronic properties of the binary clusters Ni 26–p X p (X= Pd, Pt) at T= 0 K …
energetic, and electronic properties of the binary clusters Ni 26–p X p (X= Pd, Pt) at T= 0 K …
Structural, electronic and magnetic properties of ConRh (n= 1–8) clusters from density functional calculations
J Lv, X Bai, JF Jia, XH Xu, HS Wu - Physica B: Condensed Matter, 2012 - Elsevier
The geometries, stabilities, electronic and magnetic properties of ConRh (n= 1–8) clusters
have been investigated systematically within the framework of the generalized gradient …
have been investigated systematically within the framework of the generalized gradient …
Structure, stability, and magnetism of (CoRh) n (n⩽ 5) alloy clusters: Density-function theory investigations
J Lv, FQ Zhang, XH Xu, HS Wu - Chemical Physics, 2009 - Elsevier
The geometries, stabilities, electronic and magnetic properties of the (CoRh) n (n⩽ 5)
clusters have been systematically investigated by using density functional theory with …
clusters have been systematically investigated by using density functional theory with …
Local and chemical environment dependence of the magnetic properties of CoRh core-shell nanoparticles
LE Díaz-Sánchez, J Dorantes-Dávila, GM Pastor - Physical Review B …, 2013 - APS
The ground-state magnetic properties of Co x Rh 1− x nanoparticles having sizes in the
range of 0.8–2 nm (N= 43 and 273 atoms) and Co concentrations x≈ 0, 0.25, 0.5, 0.75, and …
range of 0.8–2 nm (N= 43 and 273 atoms) and Co concentrations x≈ 0, 0.25, 0.5, 0.75, and …
Study of the structure, segregation, and magnetic properties of Ni-Rh clusters
T Sondón, J Guevara, A Saúl - Physical Review B—Condensed Matter and …, 2007 - APS
We studied the effects of size reduction and alloying on the determination of structural,
segregation, and magnetic properties of 55-atom mixed Ni and Rh clusters in the whole …
segregation, and magnetic properties of 55-atom mixed Ni and Rh clusters in the whole …