Electronic Structure and Spectra of Niobium Metal Atom Clusters

1968 ◽  
Vol 48 (2) ◽  
pp. 843-851 ◽  
Author(s):  
Robert F. Schneider ◽  
Raymond A. Mackay
Keyword(s):  
Electronic Structure ◽  
Metal Atom ◽  
Atom Clusters

5d transition-metal atom/5d–3d dimer adsorption tailored electronic structure and magnetic anisotropy of two-dimensional WSe2 monolayers

2020 ◽  
Vol 8 (33) ◽  
pp. 11417-11425 ◽  
Author(s):  
Chi Zhang ◽  
Xiaocha Wang ◽  
Wenbo Mi
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Magnetic Anisotropy ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Two Dimensional ◽  
Potential Applications

Two-dimensional (2D) WSe2 monolayers have attracted much attention due to their unique electronic structure, and have potential applications in nanoelectronic, optoelectronic, spintronic and valleytronic devices.

Electronic Structure of Ru2 Si3

1991 ◽  
Vol 234 ◽  
Author(s):  
P. Pecheur ◽  
G. Toussaint
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Atom ◽  
Electron Concentration ◽  
Valence Electron ◽  
Tight Binding ◽  
Transition Metal Atom ◽  
Valence Electron Concentration ◽  
Tight Binding Method ◽  
The Stability

ABSTRACTThe electronic structure of Ru2Si3 has been calculated with the empirical tight binding method and the recursion procedure. The calculation strongly indicates that there exists a gap in the structure, which makes Ru2Si3 semiconducting, as found experimentally and explains the stability of the chimney-ladder phases for a valence electron concentration per transition metal atom smaller than 14.

scholarly journals A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains

2017 ◽  
Vol 46 (19) ◽  
pp. 6202-6211 ◽  
Author(s):  
M. Spivak ◽  
V. Arcisauskaite ◽  
X. López ◽  
J. E. McGrady ◽  
C. de Graaf
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Metal Atom ◽  
Density Functional ◽  
Functional Theory ◽  
Complete Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Capping Ligands

Density functional theory, Complete Active Space Self-Consistent Field (CASSCF) and perturbation theory (CASPT2) methodologies have been used to explore the electronic structure of a series of trichromium Extended Metal Atom Chains (EMACS) with different capping ligands.

Metal-atom clusters in iridium carbonyl–triphenylphosphine complexes

1967 ◽  
Vol 0 (15) ◽  
pp. 730-731 ◽  
Author(s):  
Vincenzo Albano ◽  
PierLuigi Bellon ◽  
Vladimiro Scatturin
Keyword(s):  
Metal Atom ◽  
Atom Clusters
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