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cond-mat.str-el2004
Two Aspects of the Mott-Hubbard Transition in Cr-doped V_2O_3
K. Held, J. W. Allen, V. I. Anisimov +5
The combination of bandstructure theory in the local density approximation with dynamical mean field theory was recently successfully applied to VO -- a material which unde…
cond-mat.str-el2004
Full orbital calculation scheme for materials with strongly correlated electrons
V. I. Anisimov, D. E. Kondakov, A. V. Kozhevnikov +12
We propose a computational scheme for the ab initio calculation of Wannier functions (WFs) for correlated electronic materials. The full-orbital Hamiltonian H is projected into the…
cond-mat.str-el2004
Filling of the Mott-Hubbard gap in the high temperature photoemission spectrum of (V_0.972Cr_0.028)_2O_3
S. -K. Mo, H. -D. Kim, J. W. Allen +8
Photoemission spectra of the paramagnetic insulating (PI) phase of (V_0.972Cr_0.028)_2O_3, taken in ultra high vacuum up to the unusually high temperature (T) of 800 K, reveal a pr…