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We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWF in re ...
Using high-resolution angle-resolved photoemission spectroscopy we have studied the momentum and photon energy dependence of the anomalous high-energy dispersion, termed waterfalls, between the Fermi level and 1 eV binding energy in several high-T-c superc ...
Angle-resolved photoemission (ARPES) and optical measurements were performed on single crystal samples of LiCu2O2, an antiferromagnetic S=1/2 spin-chain compound. The ARPES spectra show several dispersive branches associated with hybrid copper-oxygen state ...
We firstly briefly summarize some of the most relevant recent results and open questions across rather complex electronic phase diagram of cuprates. We continue with a discussion of results on thin superconducting oxide films grown by laser ablation. Syste ...
We have optimized laser ablation thin film deposition and transfer procedures within synchrotron vault, specifically to perform angle-integrated and angle-resolved photoemission spectroscopy (ARPES) on high-T-c and related films without cleaving the sample ...
We investigate structural, electronic, dynamical, and dielectric properties of zircon (ZrSiO4) within density-functional theory. The atomic structure is fully relaxed and the structural parameters are found to differ by less than 1.5% from the experimental ...
We present a method for obtaining well-localized Wannier-like functions (WF's) for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally localized WF's method [N. Marzari and D. Vander ...
The ordered (1 x 2) monolayer of Bi on the InAs(110) surface is studied by means of angle-resolved high-resolution ultra-violet photoemission at room temperature. Four bands of Bi;induced surface states are singled out and their dispersion is mapped along ...
Angle-resolved photoemission spectroscopy reveals very surprising strain-induced effects on the electronic band dispersion of epitaxial La2-xSrxCuO4-delta thin films. In strained films we measure a band that crosses the Fermi level (E-F) well before the Br ...
Using angle-resolved photoemission, we report the first observation of an incomplete charge-density-wave (CDW) gap opening for the quasi-two-dimensional material Mo4O11. Our data indicate that the gap opening occurs over a range of 0.5 (A)ngstrom(-1) in th ...