Record Details

Relationship between coupling constants in Heisenberg exchange Hamiltonian and Ising model

DSpace at IIT Bombay

View Archive Info
 
 
Field Value
 
Title Relationship between coupling constants in Heisenberg exchange Hamiltonian and Ising model
 
Creator DATTA, SN
HANSDA, S
 
Subject TRANSITION-METAL-COMPLEXES
INITIO MO CALCULATIONS
AB-INITIO
MAGNETIC-PROPERTIES
HARTREE-FOCK
ELECTRONIC-STRUCTURE
FUNCTIONAL THEORY
DENSITY
DIMERS
INTEGRALS
 
Description We show that the coupling constant involved in the Heisenberg exchange Hamiltonian is related to the coupling constant calculated in the Ising model by a simple expression of the form J(Hei)= J(Ising)IN where N is the average number of equivalent magnetic sites per cell taken for calculation. This relation is demonstrated by DFT calculations on the crystallographic geometry of MnSb alloy in different magnetic phases, and on the optimized geometries of polymers of meta-xylylene and the silicon substituted counterparts. (C) 2015 Elsevier B.V. All rights reserved.
 
Publisher ELSEVIER SCIENCE BV
 
Date 2016-01-14T13:33:54Z
2016-01-14T13:33:54Z
2015
 
Type Article
 
Identifier CHEMICAL PHYSICS LETTERS, 621,102-108
0009-2614
1873-4448
http://dx.doi.org/10.1016/j.cplett.2015.01.001
http://dspace.library.iitb.ac.in/jspui/handle/100/17626
 
Language en