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Physical properties and magnetic structure of the intermetallic CeCuBi[subscript 2] compound
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Electronic and magnetic properties of T i 4 O 7 predicted by self-interaction-corrected density functional theory
Understanding electronic properties of substoichiometric phases of titanium oxide such as Magneli phase Ti 4 O 7 is crucial in designing and modeling resistive switching devices. Here we present our study on Magneli phase Ti 4 O 7 together with rutile TiO 2 and Ti 2 O 3 using density functional theory methods with atomic-orbital-based self-interaction correction (ASIC). We predict a new antiferromagnetic (AF) ground state in the low temperature (LT) phase, and we explain energy difference with a competing AF state using a Heisenberg model. The predicted energy ordering of these states in the LT phase is calculated to be robust in a wide range of modeled isotropic strain. We have also investigated the dependence of the electronic structures of the Ti-O phases on stoichiometry. The splitting of titanium t 2g orbitals is enhanced with increasing oxygen deficiency as Ti-O is reduced. Furthermore, the electronic properties of all these phases can be reasonably well described by applying ASIC with a "standard" value for transition metal oxides of the empirical parameter alpha of 0.5 representing the magnitude of the applied self-interaction correction.
Competing magnetic states, disorder, and the magnetic character of Fe 3 Ga 4
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Tuning Interfacial Domain Walls in GdCO/Gd/GdCo' Spring Magnets
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Atomic structure of the i- R -Cd quasicrystals and consequences for magnetism
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Switchable valley filter based on a graphene p − n junction in a magnetic field
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Local and long-range order and the influence of applied magnetic field on single-crystalline NiSb 2 O 6
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