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Article: New inorganic chemistry research from A. Rodriguezfortea and co-researchers described.
- Article from:
- Nanotechnology Weekly
- Article date:
- August 24, 2009
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"The electronic structure of the inorganic nanotubular phase Na2V3O7 has been studied by means of first-principles DFT calculations. The magnetic behavior in this system is relatively complex to study because there are as many as 30 different exchange interactions in the unit cell," investigators in Tarragona, Spain report.
"The coupling constants are computed directly from the energy differences of several spin configurations. It is found that because of the special geometry of the nanotube, the nearest-neighbor coupling constants are not the only important ones and other next-nearest-neighbor constants cannot be neglected. In contrast with previous studies, it ...