Ligand field fine-tuning on the modulation of the magnetic properties and relaxation dynamics of dysprosium(iii) single-ion magnets (SIMs): synthesis, structure, magnetism and ab initio calculations

2017 ◽  
Vol 5 (6) ◽  
pp. 1369-1382 ◽  
Author(s):  
Sheng Zhang ◽  
Haipeng Wu ◽  
Lin Sun ◽  
Hongshan Ke ◽  
Sanping Chen ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Theoretical Investigation ◽  
Fine Tuning ◽  
Ligand Field ◽  
Relaxation Dynamics ◽  
Controllable Synthesis

For dysprosium(iii) single-ion magnets (SIMs), it is crucial to explore their controllable synthesis and conduct a systematic theoretical investigation.

Study of Electronic and Magnetic Properties of Zn1−x M x O (M = Mn and Cr) by ab initio Calculations

2013 ◽  
Vol 26 (12) ◽  
pp. 3469-3474 ◽  
Author(s):  
A. Rkhioui ◽  
R. Masrour ◽  
E. K. Hlil ◽  
L. Bahmad ◽  
M. Hamedoun ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic And Magnetic Properties

Geometric and electronic structure and magnetic properties of Fe–Au nanoalloys: insights from ab initio calculations

2015 ◽  
Vol 17 (42) ◽  
pp. 28177-28185 ◽  
Author(s):  
Sampyo Hong ◽  
Talat S. Rahman
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Magnetic Moment ◽  
Au Nanoparticles

Fe–Au nanoparticles maintain almost a constant magnetic moment of ∼2.8 μB, which is 27% enhancement from the bulk value.

scholarly journals Slow Relaxation of the Magnetization in Bis-Decorated Chiral Helicene-Based Coordination Complexes of Lanthanides

2018 ◽  
Vol 4 (3) ◽  
pp. 39 ◽  
Author(s):  
Jessica Flores Gonzalez ◽  
Vincent Montigaud ◽  
Nidal Saleh ◽  
Olivier Cador ◽  
Jeanne Crassous ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Single Molecule ◽  
Crystalline Phase ◽  
Coordination Complexes ◽  
Slow Relaxation ◽  
Single Molecule Magnets ◽  
Racemic Form

The complexes [Ln2(hfac)6(L)]·nC6H14 (Ln = Dy (1) n = 0, Yb (2) n = 1) with the L chiral 3,14-di-(2-pyridyl)-4,13-diaza[6]helicene ligand (hfac− = 1,1,1,5,5,5-hexafluoroacetylacetonate) have been synthesized in their racemic form and structurally and magnetically characterized. Both complexes behave as field-induced single molecule magnets in the crystalline phase. These magnetic properties were rationalized by ab initio calculations.

Study of the Magnetic Properties of CdMnTe1−y N y and CdMnTe with Defects by Ab Initio Calculations

2015 ◽  
Vol 28 (12) ◽  
pp. 3545-3552 ◽  
Author(s):  
A. Ait Raiss ◽  
Y. Sbai ◽  
Z. Zarhri ◽  
L. Bahmad ◽  
A. Benyoussef
Keyword(s):  
Magnetic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio

The electronic structure of LaO: Ligand field versus ab initio calculations

1995 ◽  
Vol 103 (18) ◽  
pp. 8004-8013 ◽  
Author(s):  
Joël Schamps ◽  
Mohammed Bencheikh ◽  
Jean‐Claude Barthelat ◽  
Robert W. Field
Keyword(s):  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Ligand Field ◽  
Field Versus
Sign in / Sign up

Export Citation Format

Share Document