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Metal-insulator (MI) transitions in correlated electron systems have long been a central and controversial issue in material science. Vanadium dioxide (VO2) exhibits a first-order MI transition at 340 K. For more than half a century, it has been debated whether electronic correlation or the structural instability due to dimerised V ions is the more essential driving force behind this MI transition. Here, we show that an ultrahigh magnetic field of 500 T renders the insulator phase of tungsten (W)-doped VO2 metallic. The spin Zeeman effect on the d electrons of the V ions dissociates the dimers in the insulating phase, resulting in the delocalisation of electrons. Because the Mott-Hubbard gap essentially does not depend on the spin degree of freedom, the structural instability is likely to be the more essential driving force behind the MI transition.
We present a theoretical investigation of the electronic structure of rutile (metallic) and M$_1$ and M$_2$ monoclinic (insulating) phases of VO$_2$ employing a fully self-consistent combination of density functional theory and embedded dynamical mea
By means of first principles schemes based on magnetically constrained density functional theory and on the band unfolding technique we study the effect of doping on the conducting behaviour of the Lifshitz magnetic insulator NaOsO3. Electron doping
Metal-insulator transition (MIT) is one of the most conspicuous phenomena in correlated electron systems. However such transition has rarely been induced by an external magnetic field as the field scale is normally too small compared with the charge
VO2 is a strongly correlated material, which undergoes a reversible metal insulator transition (MIT) coupled to a structural phase transition upon heating (T= 67{deg} C). Since its discovery the nature of the insulating state has long been debated an
First-order phase transitions in solids are notoriously challenging to study. The combination of change in unit cell shape, long range of elastic distortion, and flow of latent heat leads to large energy barriers resulting in domain structure, hyster