68 citations · 306 across the 23 of their papers we have counts for
25 papers
Influence of Hydrogen-Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium
L. J. Bannenberg, F. García-Martínez, P. Lömker +6
Palladium hydride is a model system for studying metal-hydrogen interactions. Yet, its bulk electronic structure has proven difficult to directly probe, with most studies to date l…
Simulation of Radiation Damage on [M(COD)Cl] using Density Functional Theory
Nathalie K. Fernando, Nayera Ahmed, Katherine Milton +3
Theoretical calculations of materials have in recent years shown promise in facilitating the analysis of convoluted experimental data. This is particularly invaluable in complex sy…
Investigating Discontinuous X-ray Irradiation as a Damage Mitigation Strategy for [M(COD)Cl] Catalysts
Nathalie K. Fernando, Claire A. Murray, Amber L. Thompson +3
With the advent of ever more intense and focused X-ray sources, including in laboratories, at synchrotrons, and at X-ray free electron lasers, radiation-induced sample change and d…
Enabling two-dimensional electron gas with high room-temperature electron mobility exceeding 100 cm/Vs at a perovskite oxide interface
Georg Hoffmann, Martina Zupancic, Aysha A. Riaz +7
In perovskite oxide heterostructures, bulk functional properties coexist with emergent physical phenomena at epitaxial interfaces. Notably, charge transfer at the interface between…
Atomic multiplet and charge-transfer screening effects in 1 and 2 core-level X-ray photoelectron spectra of early 3 transition-metal oxides
Tatsuya Yamaguchi, Keisuke Higashi, Anna Regoutz +5
We present a comparative analysis of 1 and 2 core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO and CrO. Even though the V 1 and 2…
Stability of near surface nitrogen vacancy centers using dielectric surface passivation
Ravi Kumar, Saksham Mahajan, Felix Donaldson +8
We study the photo-physical stability of ensemble near-surface nitrogen vacancy (NV) centers in diamond under vacuum and air. The optically detected magnetic resonance contrast of…
Revealing the bonding nature and electronic structure of early transition metal dihydrides
Curran Kalha, Laura E. Ratcliff, Giorgio Colombi +11
Hydrogen as a fuel plays a crucial role in driving the transition to net zero greenhouse gas emissions. To realise its potential, obtaining a means of efficient storage is paramoun…
Capturing the dynamics of Ti diffusion across TiW/Cu heterostructures using X-ray photoelectron spectroscopy
Curran Kalha, Pardeep K. Thakur, Tien-Lin Lee +4
Interdiffusion phenomena between adjacent materials are highly prevalent in semiconductor device architectures and can present a major reliability challenge for the industry. To fu…
Variability in X-ray induced effects in [Rh(COD)Cl]2 with changing experimental parameters
Nathalie K. Fernando, Hanna L. B. Boström, Claire A. Murray +6
X-ray characterisation methods have undoubtedly enabled cutting-edge advances in all aspects of materials research. Despite the enormous breadth of information that can be extracte…
Probing Disorder in 2CzPN using Core and Valence States
Nathalie K. Fernando, Martina Stella, William Dawson +4
Molecules which exhibit thermally activated delayed fluorescence (TADF) show great promise for use in efficient, environmentally-friendly OLEDs, and thus the design of new TADF emi…
Satellites in the Ti~1 core level spectra of SrTiO and TiO
Atsushi Hariki, Keisuke Higashi, Tatsuya Yamaguchi +7
Satellites in core level spectra of photoelectron spectroscopy (PES) can provide crucial information on the electronic structure and chemical bonding in materials, particular in tr…
Tackling Disorder in -GaO
Laura E. Ratcliff, Takayoshi Oshima, Felix Nippert +19
GaO and its polymorphs are attracting increasing attention. The rich structural space of polymorphic oxide systems such as GaO offers potential for electronic struc…
Evaluation of the Thermal Stability of TiW/Cu Heterojunctions Using a Combined SXPS and HAXPES Approach
Curran Kalha, Michael Reisinger, Pardeep. K. Thakur +7
Power semiconductor device architectures require the inclusion of a diffusion barrier to suppress, or at best prevent the interdiffusion between the copper metallisation interconne…
Lifetime effects and satellites in the photoelectron spectrum of tungsten metal
Curran Kalha, Laura E. Ratcliff, Julio J. Gutiérrez Moreno +10
Tungsten is an important and versatile transition metal and has a firm place at the heart of many technologies. A popular experimental technique for the characterisation of tungste…
Thermal and Oxidation Stability of TiW Diffusion Barriers Investigated by Soft and Hard X-ray Photoelectron Spectroscopy
Curran Kalha, Sebastian Bichelmaier, Nathalie K. Fernando +10
The binary alloy of titanium-tungsten (TiW) is an established diffusion barrier in high-power semiconductor devices, owing to its ability to suppress the diffusion of copper from t…
A Combined Density Functional Theory and X-ray Photoelectron Spectroscopy Study of the Aromatic Amino Acids
Anna Regoutz, Marta S. Wolinska, Nathalie K. Fernando +1
Amino acids are essential to all life. However, our understanding of some aspects of their intrinsic structure, molecular chemistry, and electronic structure is still limited. In p…
Influence of Polymorphism on the Electronic Structure of GaO
Jack E. N. Swallow, Christian Vorwerk, Piero Mazzolini +21
The search for new wide band gap materials is intensifying to satisfy the need for more advanced and energy efficient power electronic devices. GaO has emerged as an altern…
Effects of nitridation on SiC/SiO structures studied by hard X-ray photoelectron spectroscopy
Judith Berens, Sebastian Bichelmaier, Nathalie K. Fernando +11
SiC is set to enable a new era in power electronics impacting a wide range of energy technologies, from electric vehicles to renewable energy. Its physical characteristics outperfo…
Selective control of localised vs. delocalised carriers in anatase TiO2 through reaction with O2
Chiara Bigi, Zhenkun Tang, Gian Marco Pierantozzi +16
Two-dimensional (2D) metallic states induced by oxygen vacancies at oxide surfaces and interfaces provide new opportunities for the development of advanced applications, but the ab…
Charge-transfer effect in hard x-ray 1 and 2 photoemission spectra: LDA+DMFT and cluster-model analysis
Mahnaz Ghiasi, Atsushi Hariki, Mathias Winder +6
We study and hard x-ray photoemission spectra (XPS) in a series of late transition metal oxides: FeO (3), FeTiO (3), CoO (3) and NiO (3$d…
Cooperative Effects of Strain and Electron Correlation in Epitaxial VO2 and NbO2
Wei-Cheng Lee, Matthew J. Wahila, Shantanu Mukherjee +9
We investigate the electronic structure of the epitaxial VO films in the rutile phase using the density functional theory combined with the slave spin method (DFT+SS). In DFT-S…
Multiphase strontium molybdate thin films for plasmonic local heating applications
Matthew P. Wells, Bin Zou, Andrei P. Mihai +6
In the search for alternative plasmonic materials SrMoO3 has recently been identified as possessing a number of desirable optical properties. Owing to the requirement for many plas…
Revisiting the origin of satellites in core level photoemission of transparent conducting oxides: the case of -doped SnO
F. Borgatti, J. A. Berger, D. Céolin +14
The longstanding problem of interpretation of satellite structures in core level photoemission spectra of metallic systems with a low density of conduction electrons is addressed u…
The role of spin-orbit coupling in the electronic structure of IrO
Pranab Kumar Das, Jagoda Sławińska, Ivana Vobornik +15
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combini…