Hartee Fock Symmetry Breaking Effects in La2CuO4: Hints for connecting the Mott and Slater Pictures and Pseudogap Prediction

Symmetry

卷:2

关键词: symmetry breaking;    strongly correlated electron systems;    Magnetism;    HTc supercondutivity;    HTSC;    pseudgaps;    MIS;    entanglement;   

DOI  :  10.3390/sym2010388

来源: DOAJ

【 摘 要 】

This work expands the results and derivations presented in a recent letter. It is argued that symmetry breaking Hartree-Fock (HF) solutions of a simple model of the Cu-O planes in La2CuO4, are able to describe the insulator and antiferromagnetic characters of this material. Then, this classical primer of a Mott insulator is alternatively obtained here as an exact Slater insulator within the simplest of the first principles schemes. Moreover, pseudogap HF states are also predicted. The maximal energy gap of 100 meV over the Fermi surface of this wavefunction, reasonably well matches the ARPES upper pseudogap measurements for La2CuO4 in the zero doping limit. These surprising results followed after eliminating spin and crystal symmetry constraints usually imposed on the HF orbitals. The discussion helps to clarify the role of the antiferromagnetism and pseudogaps in the physics of the HTSC materials and indicates a promising way to start conciliating the Mott and Slater pictures for the description of the transition metal oxides.

【 授权许可】

Unknown