Issue |
EPL
Volume 112, Number 3, November 2015
|
|
---|---|---|
Article Number | 37011 | |
Number of page(s) | 6 | |
Section | Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties | |
DOI | https://doi.org/10.1209/0295-5075/112/37011 | |
Published online | 30 November 2015 |
Fermi arcs and pseudogap emerging from dimensional crossover at the Fermi surface in La2−xSrxCuO4
1 R. Bošković Institute - Bijenička cesta 54, HR-10000 Zagreb, Croatia
2 Department of Physics, Faculty of Science, University of Zagreb - Bijenička cesta 32, HR-10000 Zagreb, Croatia
Received: 2 August 2015
Accepted: 2 November 2015
The doping mechanism and realistic Fermi surface (FS) evolution of La2−xSrxCuO4 (LSCO) are modelled within an extensive ab initio framework including advanced band-unfolding techniques. We show that ordinary Kohn-Sham DFT+U can reproduce the observed metal-insulator transition, when not restricted to the paramagnetic solution space. Arcs are self-doped by orbital charge transfer within the Cu-O planes, while the introduced Sr charge is strongly localized. Arc protection and the inadequacy of the rigid-band picture are consequences of a rapid change in orbital symmetry at the Fermi energy: the material undergoes a dimensional crossover along the Fermi surface, between the nodal (2D) and antinodal (3D) regions. In LSCO, this crossover accounts for FS arcs, the antinodal pseudogap, and insulating behavior in c-axis conductivity, all ubiquitous phenomena in high-Tc cuprates. Ligand Coulomb integrals involving out-of-plane sites are principally responsible for the most striking effects observed by ARPES in LSCO.
PACS: 74.72.Gh – Hole-doped / 74.20.Pq – Electronic structure calculations / 74.25.Jb – Electronic structure (photoemission, etc.)
© EPLA, 2015
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.