1. A combined density functional theory and x-ray photoelectron spectroscopy study of the aromatic amino acids. (20th January 2021) Authors: Regoutz, Anna; Wolinska, Marta S; Fernando, Nathalie K; Ratcliff, Laura E Journal: Electronic structure Issue: Volume 2:Number 4(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A DFT study on the electronic structure of in-plane heterojunctions of graphene and hexagonal boron nitride nanoribbons. (7th June 2021) Authors: dos Santos, Ramiro M; Giozza, William F; de Sousa Junior, Rafael T; da Silva Filho, Demétrio A; Santos, Renato B; Ribeiro Júnior, Luiz A Journal: Electronic structure Issue: Volume 3:Number 2(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A divide-and-conquer method to improve performance in quantum transport calculations: conductance in rotated graphene nanoribbons side-contact junctions. (1st December 2022) Authors: Rodríguez, Mauricio J; Ramírez, Carlos Journal: Electronic structure Issue: Volume 4:Number 4(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A first-principles study on the structural, thermal and electronic properties of cerium oxides by using different functionals. (20th November 2018) Authors: Sun, Lu; Xiao, Wei; Hao, Xiamin; Meng, Qingling; Zhou, Miao Journal: Electronic structure Issue: Volume 1:Number 1(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. A general route to form topologically-protected surface and bulk Dirac fermions along high-symmetry lines. (11th March 2019) Authors: Clark, O J; Mazzola, F; Marković, I; Riley, J M; Feng, J; Yang, B-J; Sumida, K; Okuda, T; Fujii, J; Vobornik, I; Kim, T K; Okawa, K; Sasagawa, T; Bahramy, M S; King, P D C Journal: Electronic structure Issue: Volume 1:Number 1(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. A review of angle-resolved photoemission spectroscopy study on topological magnetic material family of MnBi2Te4. (1st December 2022) Authors: Jiang, Zhicheng; Liu, Jiayu; Liu, Zhengtai; Shen, Dawei Journal: Electronic structure Issue: Volume 4:Number 4(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. A robust solver for wavefunction-based density functional theory calculations*This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE public access plan (http://energy.gov/downloads/doe-public-access-plan). (3rd February 2022) Authors: Fattebert, J-L Journal: Electronic structure Issue: Volume 4:Number 1(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. A study of the structural and magnetic properties of nitrides of iron and nickel (XN; X = Fe, Ni) using density functional theory approach. (8th December 2020) Authors: Atsue, T; Ogunniranye, I B; Oyewande, O E Journal: Electronic structure Issue: Volume 2:Number 4(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. A unified secondary electron cut-off presentation and common mistakes in photoelectron spectroscopy. (1st December 2022) Authors: Schultz, Thorsten Journal: Electronic structure Issue: Volume 4:Number 4(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Accelerate stochastic calculation of random-phase approximation correlation energy difference with an atom-based correlated sampling. (18th March 2021) Authors: Chi, Yu-Chieh; Huang, Chen Journal: Electronic structure Issue: Volume 3:Number 1(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗