Structural and magnetic properties of copper(II) dimers bridged by oxalate, azide, and cyanide ions; X-ray structures of [Cu2{EtN(CH2CH2NEt2)2}2(C2O4)][BPh4]2 and [Cu2{MeN(CH2CH2NMe2)2}2(N3)2][BPh4]2. The role of the transition-metal ion ground state in magnetic exchange interactions

1976 ◽  
pp. 777 ◽  
Author(s):  
Timothy R. Felthouse ◽  
Edward J. Laskowski ◽  
David S. Bieksza ◽  
David N. Hendrickson
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Ground State ◽  
Metal Ion ◽  
Exchange Interactions ◽  
Magnetic Exchange ◽  
Transition Metal Ion ◽  
X Ray ◽  
Structural And Magnetic Properties

scholarly journals 3d single-ion magnets

2015 ◽  
Vol 44 (8) ◽  
pp. 2135-2147 ◽  
Author(s):  
Gavin A. Craig ◽  
Mark Murrie
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Single Molecule ◽  
Metal Ion ◽  
Ligand Field ◽  
Single Molecule Magnets ◽  
Transition Metal Ion ◽  
Recent Approach

This review describes the recent approach to obtain single-molecule magnets where the magnetic properties arise from just one first row transition metal ion in a suitable ligand field.

Ab-initio modeling of Fe-Mn based alloys and nanoclusters

2011 ◽  
Vol 1296 ◽  
Author(s):  
Peter Entel ◽  
Denis Comtesse ◽  
Heike C. Herper ◽  
Markus E. Gruner ◽  
Mario Siewert ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Finite Temperature ◽  
Large Scale ◽  
Exchange Interactions ◽  
The Novel ◽  
Magnetic Exchange ◽  
Simulation Tools ◽  
Transition Metal Alloys ◽  
Structural And Magnetic Properties

ABSTRACTNew methods in steel design and basic understanding of the novel materials require large scale ab initio calculations of ground state and finite temperature properties of transition metal alloys. In this contribution we present ab initio modeling of the structural and magnetic properties of XYZ compounds and alloys where X, Y = Mn, Fe, Co Ni and Z = C, Si with emphasis on the Fe-Mn steels. The optimization of structural and magnetic properties is performed by using different simulation tools. In particular, the finite-temperature magnetic properties are simulated using a Heisenberg model with magnetic exchange interactions from first-principles calculations. Part of the calculations are extended to the nanoparticle range showing how ferromagnetic and antiferromagnetic trends influence the nucleation, morphologies and growth of Fe-Mn-based nanoparticles.

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