Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system
Чланак у часопису
МетаподациПриказ свих података о документу
Using a density functional approach, we study the structural and magnetic properties of the pyroxene compound NaTiSi2O6. While all previous workers are taking that NaTiSi2O6 is a quasi-one-dimensional S=1/2 system, our theoretical results indicate that this is a Haldane S=1 chain compound below the phase transition at 210 K. A good agreement is obtained between the calculated and the measured Ti-Ti distances in the dimerized low temperature phase. We present a simple explanation of the flow of the unusual phase transition which is taking place in this compound.
Извор:Physical Review Letters, 2004, 93, 3
ISSN: 0031-9007 (print); 1079-7114 (electronic)