Impact of electron correlations on the k-resolved electronic structure of PdCrO2 revealed by Compton scattering

Autor: A D N James, D Billington, S B Dugdale

Publikováno v: Electronic Structure. 5:025002

Delafossite PdCrO2 is an intriguing material which displays nearly-free electron and Mott insulating behaviour in different layers. Both angle-resolved photoemission spectroscopy (ARPES) and Compton scattering measurements have established a hexagona

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b9f06112e8d0da6fd7e4e840b1058ad7
https://doi.org/10.1088/2516-1075/acd28d

Sensitivity of the Fermi surface to the treatment of exchange and correlation

Autor: Stephen B Dugdale, Eddie I Harris-Lee, Alyn D N James

Publikováno v: Physical Review B. 103

The group V and VI transition metals share a common Fermi surface feature of hole ellipsoids at the $N$ point in the Brillouin zone. In clear contrast to the other Fermi surface sheets, which are purely of $d$ character, these arise from a band that

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0549ae473cc699ba207c14f8ebb373e1
https://doi.org/10.1103/physrevb.103.235144

Wave functions, electronic localization, and bonding properties for correlated materials beyond the Kohn-Sham formalism

Autor: Stephen B Dugdale, Markus Aichhorn, Eddie I Harris-Lee, Alyn D N James, Alexander Hampel

Publikováno v: James, A D N, Harris-Lee, E I, Hampel, A, Aichhorn, M & Dugdale, S B 2021, ' Wave functions, electronic localization, and bonding properties for correlated materials beyond the Kohn-Sham formalism ', Physical Review B, vol. 103, no. 3, 035106 . https://doi.org/10.1103/PhysRevB.103.035106

Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron-electron correlation effects that are missing in current density functional theory (DFT) calculations. However, there has been relatively littl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e13e4e1df587ba01b3cef9eeea130cf
https://research-information.bris.ac.uk/ws/files/263827242/PhysRevB.103.035106.pdf

Magnetic Compton profiles of Ni beyond the one-particle picture: numerically exact and perturbative solvers of dynamical mean-field theory

Autor: Liviu Chioncel, Stephen B Dugdale, M Sekania, Alyn D N James

Publikováno v: James, A D N, Sekania, M, Dugdale, S B & Chioncel, L 2021, ' Magnetic Compton profiles of Ni beyond the one-particle picture: Numerically exact and perturbative solvers of dynamical mean-field theory ', Physical Review B, vol. 103, no. 11, 115144 . https://doi.org/10.1103/PhysRevB.103.115144

We calculated the magnetic Compton profiles (MCPs) of Ni using density functional theory supplemented by electronic correlations treated within dynamical mean-field theory (DMFT). We present comparisons between the theoretical and experimental MCPs.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::544c32154e705c0cc54f739447549218

Low‐dose aspirin and intracranial surgery A survey of the opinions of consultant neuroanaesthetists in the UK

Autor: J. R. Fernandes, D. N. James, I. Calder, M. Smith

Publikováno v: Anaesthesia. 52:169-172

Increasing numbers of patients presenting for surgery are receiving concurrent medication with low-dose aspirin. We surveyed the opinions and working practices of consultant members of the Neuroanaesthesia Society regarding patients who present for e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::725acbcd0db8e06c94e93c9132382b3e
https://doi.org/10.1111/j.1365-2044.1997.67-az0056.x