Three-dimensional momentum-resolved electronic structure of 1T-TiSe2: A combined soft-x-ray photoemission and density functional theory study
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electronic band structure of MgB2 involves a unique combination of two-and three-dimensional (3D) electrons derived from the boron sigma and pi states, respectively. We have mapped out the sigma and pi bands over the complete Brillouin zone, including the ...
In this thesis, angular resolved photoemission spectroscopy (ARPES) is used to study the electronic structure of different two-dimensional electron systems (2DES). This technique is very surface sensitive and the most direct method to probe the surface ban ...
To model polaronic behavior in strongly correlated transition-metal oxideswith ab initio methods, one typically requires a level of theory beyond that of local density or general gradient density functional theory (DFT) approximations to account for the st ...
One of the most unique and robust experimental facts about iron-based superconductors is the renormalization of the electronic band dispersion by factor of 3 and more near the Fermi level. Obviously related to the electron pairing, this prominent deviation ...
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Here we report a further investigation on the thermodynamic and transport properties, and an assessment of theoretical calculations, for the BiS2- layered Bi3O2S3 superconductor. The polycrystalline sample is synthesized with a superconducting transition t ...
Density functional theory (DFT) is an approach to overcome the intractability of interacting quantum mechanical many-body problems: DFT recasts an interacting many-body equation into a set of self-consistent noninteracting single-particle equations, the so ...
Understanding the role of electron correlations in strong spin-orbit transition-metal oxides is key to the realization of numerous exotic phases including spin-orbit–assisted Mott insulators, correlated topological solids, and prospective new high-temperat ...
We construct an orbital-free non-empirical meta-generalized gradient approximation (GGA) functional, which depends explicitly on density through the density overlap regions indicator [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10, 3745 (2014)] ...
The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on iron-based pnictide superconductors. Here we use soft x-ray angle-resol ...
