scholarly journals Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet

2016 ◽  
Vol 7 (8) ◽  
pp. 4891-4895 ◽  
Author(s):  
Eufemio Moreno Pineda ◽  
Giulia Lorusso ◽  
Karzan H. Zangana ◽  
Elias Palacios ◽  
Jürgen Schnack ◽  
...  
Keyword(s):  
Dipolar Interactions ◽  
Spin Frustration ◽  
Magnetocaloric Properties ◽  
Trigonal Prismatic ◽  
Frustration Effects

Adiabatic demagnetisation experiments on a C3h symmetric molecular {Gd7} cluster reveal effects of intramolecular dipolar interactions and geometric spin frustration.

scholarly journals Evidence of long-range ferromagnetic order and spin frustration effects in the double perovskite La2CoMnO6

2019 ◽  
Vol 99 (10) ◽  
Author(s):  
R. P. Madhogaria ◽  
R. Das ◽  
E. M. Clements ◽  
V. Kalappattil ◽  
M. H. Phan ◽  
...  
Keyword(s):  
Long Range ◽  
Double Perovskite ◽  
Spin Frustration ◽  
Ferromagnetic Order ◽  
Frustration Effects

Spin Maximization fromS= 11 toS= 16 in Mn7Disk-Like Clusters: Spin Frustration Effects and Their Computational Rationalization

2009 ◽  
Vol 48 (20) ◽  
pp. 9831-9845 ◽  
Author(s):  
Theocharis C. Stamatatos ◽  
Dolos Foguet-Albiol ◽  
Katye M. Poole ◽  
Wolfgang Wernsdorfer ◽  
Khalil A. Abboud ◽  
...  
Keyword(s):  
Spin Frustration ◽  
Frustration Effects

Carboxylate-Free MnIII2LnIII2(Ln = Lanthanide) and MnIII2YIII2Complexes from the Use of (2-Hydroxymethyl)pyridine: Analysis of Spin Frustration Effects

2011 ◽  
Vol 50 (18) ◽  
pp. 8959-8966 ◽  
Author(s):  
Constantina Papatriantafyllopoulou ◽  
Khalil A. Abboud ◽  
George Christou
Keyword(s):  
Spin Frustration ◽  
Frustration Effects

scholarly journals Spin frustration effects in an odd-member antiferromagnetic ring and the magnetic Möbius strip

2005 ◽  
Vol 290-291 ◽  
pp. 55-60 ◽  
Author(s):  
Olivier Cador ◽  
Dante Gatteschi ◽  
Roberta Sessoli ◽  
Anne-Laure Barra ◽  
Grigore A. Timco ◽  
...  
Keyword(s):  
Spin Frustration ◽  
Möbius Strip ◽  
Frustration Effects ◽  
Mobius Strip

THE MAGNETIC PROPERTIES OF A FERROFLUID WITH DIPOLAR INTERACTIONS

1985 ◽  
Vol 46 (C6) ◽  
pp. C6-283-C6-286
Author(s):  
A. Bradbury ◽  
S. Menear ◽  
R. W. Chantrell ◽  
K. O'Grady
Keyword(s):  
Magnetic Properties ◽  
Dipolar Interactions

Efficient Treatment of Fixed and Induced Dipolar Interactions

2000 ◽  
Vol 653 ◽  
Author(s):  
Celeste Sagui ◽  
Thoma Darden
Keyword(s):  
Molecular Dynamics ◽  
Md Simulations ◽  
Lagrangian Formalism ◽  
Dipolar Interactions ◽  
Time Step ◽  
Efficient Treatment ◽  
Particle Mesh Ewald ◽  
Fixed Charges ◽  
Self Consistency ◽  
Induced Dipoles

AbstractFixed and induced point dipoles have been implemented in the Ewald and Particle-Mesh Ewald (PME) formalisms. During molecular dynamics (MD) the induced dipoles can be propagated along with the atomic positions either by interation to self-consistency at each time step, or by a Car-Parrinello (CP) technique using an extended Lagrangian formalism. The use of PME for electrostatics of fixed charges and induced dipoles together with a CP treatment of dipole propagation in MD simulations leads to a cost overhead of only 33% above that of MD simulations using standard PME with fixed charges, allowing the study of polarizability in largemacromolecular systems.

In the Quest for a Stable Triplet State in Small Polyaromatic Hydrocarbons : An In-Silico Tool for Rational Design and Prediction

2019 ◽  
Author(s):  
Madhumita Rano ◽  
Sumanta K Ghosh ◽  
Debashree Ghosh
Keyword(s):  
Triplet State ◽  
Small Molecules ◽  
In Silico ◽  
Qualitative Agreement ◽  
Rational Design ◽  
Polyaromatic Hydrocarbons ◽  
Spin Hamiltonian ◽  
Spin Frustration ◽  
Computationally Efficient ◽  
High Level

<div>Combining the roles of spin frustration and geometry of odd and even numbered rings in polyaromatic hydrocarbons (PAHs), we design small molecules that show exceedingly small singlet-triplet gaps and stable triplet ground states. Furthermore, a computationally efficient protocol with a model spin Hamiltonian is shown to be capable of qualitative agreement with respect to high level multireference calculations and therefore, can be used for fast molecular discovery and screening.</div>

Effects of A-site cation disorder on structure and magnetocaloric properties in Y and Sr codoped La2∕3Ca1∕3MnO3 compounds

2009 ◽  
Vol 105 (7) ◽  
pp. 07D713 ◽  
Author(s):  
Qing Ji ◽  
Bin Lv ◽  
P. F. Wang ◽  
H. L. Cai ◽  
X. S. Wu ◽  
...  
Keyword(s):  
Cation Disorder ◽  
Magnetocaloric Properties ◽  
A Site
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