Mapping Orbital-Resolved Magnetism in Single Lanthanide Atoms

ACS Nano ◽  
2021 ◽  
Author(s):  
Aparajita Singha ◽  
Daria Sostina ◽  
Christoph Wolf ◽  
Safa L. Ahmed ◽  
Denis Krylov ◽  
...  
Keyword(s):  
Lanthanide Atoms

Beta-decay effects of lanthanide atoms in chelate compounds

1974 ◽  
Vol 36 (7) ◽  
pp. 1433-1439 ◽  
Author(s):  
T. Asano ◽  
S. Okada ◽  
K. Sakamoto ◽  
S. Taniguchi ◽  
Y. Kobayashi
Keyword(s):  
Beta Decay ◽  
Chelate Compounds ◽  
Lanthanide Atoms

Sternheimer Antishielding Functions ß(r) and γ(r) for Rare Earth Atoms

1986 ◽  
Vol 41 (1-2) ◽  
pp. 37-46 ◽  
Author(s):  
K. D. Sen ◽  
P. C. Schmidt ◽  
Alarich Weiss
Keyword(s):  
Rare Earth ◽  
Valence State ◽  
Wave Functions ◽  
Electric Field Gradients ◽  
Hartree Fock ◽  
Field Gradients ◽  
Lanthanide Atoms ◽  
Hf Wave ◽  
Self Consistency ◽  
Consistency Effects

The Sternheimer shielding-antishielding functions ß(r) and γ(r) are reported for all the fourteen lanthanide atoms at the uncoupled Hartree-Fock level of theory. Each atom is considered in two valence state configurations, 4fn 5d0 and 4 fn-1 5d1, and the nonrelativistic HF wave functions have been used. The 5d1 configuration leads to a smaller net antishielding than the 4fn configuration by ~ 6-12% in the series. The electron-electron self consistency effects are found to be less than 5% in the series. The importance of the calculated antishielding functions in the antishielding theory of electric field gradients in noncubic metals is discussed.

scholarly journals Current Status and Developments of the Atomic Database on Rare-Earths at Mons University (DREAM)

Atoms ◽  
2020 ◽  
Vol 8 (2) ◽  
pp. 18 ◽  
Author(s):  
Pascal Quinet ◽  
Patrick Palmeri
Keyword(s):  
Rare Earths ◽  
Spectral Lines ◽  
Oscillator Strengths ◽  
Current Status ◽  
Time Resolved ◽  
Hartree Fock ◽  
Lanthanide Atoms ◽  
Experimental Values ◽  
Theoretical Results ◽  
Good Agreement

The main purpose of the Database on Rare Earths At Mons University (DREAM) is to provide the scientific community with updated spectroscopic parameters related to lanthanide atoms (Z = 57–71) in their lowest ionization stages. The radiative parameters (oscillator strengths and transitions probabilities) listed in the database have been obtained over the past 20 years by the Atomic Physics and Astrophysics group of Mons University, Belgium, thanks to a systematic and extensive use of the pseudo-relativistic Hartree-Fock (HFR) method modified for taking core-polarization and core-penetration effects into account. Most of these theoretical results have been validated by the good agreement obtained when comparing computed radiative lifetimes and accurate experimental values measured by the time-resolved laser-induced fluorescence technique. In the present paper, we report on the current status and developments of the database that gathers radiative parameters for more than 72,000 spectral lines in neutral, singly-, doubly-, and triply-ionized lanthanides.

Lanthanide Doped Complexes and Organometallic Clusters: Design Strategies and their Applications in Biology and Photonics

2019 ◽  
Vol 9 (3) ◽  
pp. 166-217 ◽  
Author(s):  
Gangadharan A. Kumar
Keyword(s):  
Nanostructured Materials ◽  
Rational Design ◽  
Near Infrared ◽  
Organic Ligand ◽  
Central Core ◽  
Design Strategies ◽  
Ceramic Core ◽  
Light Emitting ◽  
Potential Applications ◽  
Lanthanide Atoms

In this review, we discuss the rational design of a new class of lanthanide-doped organometallic nanostructured materials called `molecular minerals`. Molecular minerals are nanostructured materials with a ceramic core made from chalcogenide groups and other heavy metals. Part of the central core atoms is replaced by suitable lanthanide atoms to impart fluorescent spectral properties. The ceramic core is surrounded by various types of organic networks thus making the structure partly ceramic and organic. The central core has superior optical properties and the surrounding organic ligand makes it easy to dissolve several kinds of organic solvents and fluoropolymers to make several kinds of active and passive photonic devices. This chapter starts with elaborate design strategies of lanthanidebased near-infrared emitting materials followed by the experimental results of selected near-infrared emitting lanthanide clusters. Finally, their potential applications in telecommunication, light-emitting diodes and medical imaging are discussed.

DFT + U studies of the electronic and optical properties of ReS2 mono-layer doped with lanthanide atoms

2019 ◽  
Vol 6 (10) ◽  
pp. 106307
Author(s):  
Kingsley Onyebuchi Obodo ◽  
Cecil N M Ouma ◽  
Grebremedh Gebreyesus ◽  
Joshua T Obodo ◽  
Stella O Ezeonu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic And Optical Properties ◽  
Mono Layer ◽  
Lanthanide Atoms

A systematic study of photoionization of free lanthanide atoms in the 4d giant resonance region

2009 ◽  
Vol 169 (2-3) ◽  
pp. 67-79 ◽  
Author(s):  
G. Kutluk ◽  
H. Ishijima ◽  
M. Kanno ◽  
T. Nagata ◽  
A.T. Domondon
Keyword(s):  
Systematic Study ◽  
Giant Resonance ◽  
Resonance Region ◽  
Lanthanide Atoms

Beauty, Symmetry, and Magnetocaloric Effect—Four-Shell Keplerates with 104 Lanthanide Atoms

2014 ◽  
Vol 136 (52) ◽  
pp. 17938-17941 ◽  
Author(s):  
Jun-Bo Peng ◽  
Xiang-Jian Kong ◽  
Qian-Chong Zhang ◽  
Martin Orendáč ◽  
Jan Prokleška ◽  
...  
Keyword(s):  
Magnetocaloric Effect ◽  
Lanthanide Atoms

Ab initio insights on the effect of embedding lanthanide atoms on nitrogenated holey doped graphene (g-C2N)

2018 ◽  
Vol 6 (15) ◽  
pp. 4015-4022 ◽  
Author(s):  
Cecil Naphtaly Moro Ouma ◽  
Kingsley Onyebuchi Obodo ◽  
Moritz Braun ◽  
George Odhiambo Amolo
Keyword(s):  
Ab Initio ◽  
Lanthanide Ions ◽  
Doped Graphene ◽  
Lanthanide Atoms

Tuning the properties of g-C2N through embedding of lanthanide ions.

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