5 papers
Static vs. dynamical mean field theory of Mott antiferromagnets
G. Sangiovanni, A. Toschi, E. Koch +11
Studying the antiferromagnetic phase of the Hubbard model by dynamical mean field theory, we observe striking differences with static (Hartree-Fock) mean field: The Slater band is…
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…
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…
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…
Prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V_2O_3
S. -K. Mo, J. D. Denlinger, H. -D. Kim +14
We present the first observation of a prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V_2O_3 and report new spectral calculations that combine…