Electronic Structure of Copper Corroles

Electronic structure of copper-rich copper-gold alloys.

We present and discuss angle-resolved photoemission measurements from the (111) and (100) faces of CuAu single crystals containing 10 at. %%u oA u in th ebul k, togethe rwit hcomputation sof complex-energy bands and densities of states in the Cu90Aulo random alloy. Our calculations permit (.' a good understanding of the shifts and smearings in t e spectrum of Cu arising from the addition of Au ...

Electronic Structure Study of Copper-containing Perovskites

Modulation of the molecular spintronic properties of adsorbed copper corroles

The ability to modulate the spin states of adsorbed molecules is in high demand for molecular spintronics applications. Here, we demonstrate that the spin state of a corrole complex can be tuned by expanding its fused ring as a result of the modification to the d-π interaction between the metal and ligand. A bicyclo[2.2.2]octadiene-fused copper corrole can readily be converted into a tetrabenzo...

Quasiparticle electronic structure of copper in the GW approximation.

We show that the results of photoemission and inverse photoemission experiments on bulk copper can be quantitatively described within band-structure theory, with no evidence of effects beyond the single-quasiparticle approximation. The well-known discrepancies between the experimental band structure and the Kohn-Sham eigenvalues of density functional theory are almost completely corrected by se...

Electronic structure of copper studied by electron momentum spectroscopy

M. Vos,1,* A. S. Kheifets,1 C. Bowles,1 C. Chen,1 E. Weigold,1 and F. Aryasetiawan2 1Atomic and Molecular Physics Laboratories, Research School of Physical Sciences and Engineering, Australian National University, Canberra ACT 0200, Australia 2Research Institute for Computational Sciences, AIST, Tsukuba Central 2, Umezono 1-1-1, Tsukuba Ibaraki 305-8568, Japan (Received 16 June 2004; published ...