4.6k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University College LondonGB816 papers
- Thomas Young CentreGB105 papers
- University of CambridgeGB94 papers
- University of OxfordGB89 papers
- Rutherford Appleton LaboratoryGB87 papers
- Paul Scherrer InstituteCH81 papers
- Centre National de la Recherche ScientifiqueFR78 papers
- Imperial College LondonGB59 papers
- École Polytechnique Fédérale de LausanneCH57 papers
- Brookhaven National LaboratoryUS52 papers
- University of GenevaCH52 papers
- ETH ZurichCH48 papers
182 papers · 1 filter
Pentagonal PdTe2 Monolayer for Sustainable Solar-driven Hydrogen Production
Narender Kumar, Shambhu Bhandari, Dario Alfè +2
This investigation demonstrates that the pentagonal PdTe (penta-PdTe) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by a bandgap of 1.87~e…
Magnetostriction as the origin of the magnetodielectric effect in La2CoMnO6
M. Boldrin, A. Bagri, D. Barlettani +12
The La2CoMnO6 (LCMO) perovskite has received a lot of attention due to its near room temperature magnetodielectric effect. Despite the recent efforts, the mechanism ruling the corr…
Ultrafast heat transfer in single palladium nanocrystals seen with an X-ray free-electron laser
David Yang, James Wrigley, Jack Griffiths +11
We report transient highly strained structural states in individual palladium (Pd) nanocrystals, electronically heated using an optical laser, which precede their uniform thermal e…
Laser-Induced Topological Toggle Switching at Room Temperature in the van der Waals Ferromagnet Fe3GaTe2
Charlie W. F. Freeman, Woohyun Cho, Paul S. Keatley +7
We demonstrate room-temperature nucleation and manipulation of topological spin textures in the van der Waals (vdW) ferromagnet, Fe3GaTe2, through laser pulse excitation. By levera…
Spin wave resonance in yttrium iron garnet stripe domains
Daniel Prestwood, Chris E. A. Barker, Kilian D. Stenning +15
We study a thin film yttrium iron garnet sample that exhibits magnetic stripe domains due to a small perpendicular magnetic anisotropy. Using wide-field magneto-optic Kerr effect m…
Direct Imaging of Hydrogen-Driven Dislocation and Strain Field Evolution in a Stainless Steel Grain
David Yang, Mujan Seif, Guanze He +9
Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanis…
A brief introduction to the diffusion Monte Carlo method and the fixed-node approximation
Alfonso Annarelli, Dario Alfè, Andrea Zen
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary…
Exploration of stable atomic configurations in graphene-like BCN systems by Bayesian optimization
Taichi Hara, Akira Kusaba, Yoshihiro Kangawa +4
h-BCN is an intriguing material system where the bandgap varies considerably depending on the atomic configuration, even at a fixed composition. Exploring stable atomic configurati…
Direct imaging and control of Berry curvature in noncollinear antiferromagnetic single-crystal thin films
Yuchuan Yao, Pratap Pal, Camron Farhang +11
The discovery of the intrinsic anomalous Hall effect (AHE) in noncollinear antiferromagnets where transverse Hall voltage emerges without magnetic field, has opened a plethora of p…
Low temperature state in strontium titanate microcrystals using in situ multi-reflection Bragg coherent X-ray diffraction imaging
David Yang, Ana F. Suzana, Longlong Wu +12
Strontium titanate is a classic quantum paraelectric oxide material that has been widely studied in bulk and thin films. It exhibits a well-known cubic-to-tetragonal antiferrodisto…
Assessing the nature of nanoscale ferroelectric domain walls in lead titanate multilayers
Edoardo Zatterin, Petr Ondrejkovic, Louis Bastogne +12
The observation of unexpected polarisation textures such as vortices, skyrmions and merons in various oxide heterostructures has challenged the widely accepted picture of ferroelec…
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
Flaviano Della Pia, Andrea Zen, Venkat Kapil +3
Water confined in nanoscale cavities plays a crucial role in everyday phenomena in geology and biology, as well as technological applications at the water-energy nexus. However, ev…
The Wetting of HO by CO
Samuel G. H. Brookes, Venkat Kapil, Christoph Schran +1
Biphasic interfaces are complex but fascinating regimes that display a number of properties distinct from those of the bulk. The CO-HO interface, in particular, has been th…
Cooperative CO capture via oxalate formation on metal-decorated graphene
Inioluwa Christianah Popoola, Benjamin Xu Shi, Fabian Berger +5
CO capture using carbon-based materials, particularly graphene and graphene-like materials, is a promising strategy to deal with CO emissions. However, significant gaps rem…
How accurate are simulations and experiments for the lattice energies of molecular crystals?
Flaviano Della Pia, Andrea Zen, Dario Alfè +1
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to m…
Augmentation of the Electron Counting Rule with Ising Model
Karol Kawka, Pawel Kempisty, Konrad Sakowski +4
On semiconductor growth surfaces, surface reconstructions appear. Estimation of the reconstructed structures is essential for understanding and controlling growth phenomena. In thi…
Ab initio study of subsurface diffusion of Cu on the H-passivated Si(001) surface
A. Rodriguez-Prieto, D. R. Bowler
In this paper we use density-functional theory calculations to analyze both the stability and diffusion of Cu adatoms near and on the H-passivated Si(001) surface. Two different Cu…
Resolving Length Scale Dependent Transient Disorder Through an Ultrafast Phase Transition
Jack Griffiths, Ana Flávia Suzana, Longlong Wu +10
Material functionality can be strongly determined by structure extending only over nanoscale distances. The pair distribution function presents an opportunity to shift structural s…
Momentum-space imaging of ultra-thin electron liquids in delta-doped silicon
Procopios Constantinou, Taylor J. Z. Stock, Eleanor Crane +11
Two-dimensional dopant layers (-layers) in semiconductors provide the high-mobility electron liquids (2DELs) needed for nanoscale quantum-electronic devices. Key parameters such…
Unravelling H chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo
Yasmine S. Al-Hamdani, Andrea Zen, Dario Alfé
Molecular hydrogen is at the core of hydrogen energy applications and has the potential to significantly reduce the use of carbon dioxide emitting energy processes. However, hydrog…
Interfacial two-dimensional oxide enhances photocatalytic activity of graphene/titania via electronic structure modification
Dario De Angelis, Francesco Presel, Naila Jabeen +8
A two-dimensional layer of oxide reveals itself as a essential element to drive the photocatalytic activity in a nanostructured hybrid material, which combines high-quality epitaxi…
Exploring the Spin Dynamics of a Room-Temperature Diamond Maser using an Extended rate Equation Model
Yongqiang Wen, Philip L. Diggle, Neil McN. Alford +1
Masers - the microwave analogue of lasers - are coherent microwave sources that can act as oscillators or quantum-limited amplifiers. Masers have historically required high vacuum…
Emergence of metallic surface states and negative differential conductance in thin -FeSi films on Si(001)
Keisuke Sagisaka, Tomoko Kusawake, David Bowler +1
The electronic properties of the surface of -FeSi have been debated for a long while. We studied the surface states of -FeSi films grown on Si(001) substrates using s…
Maser Threshold Characterization by Resonator Q-Factor Tuning
Christoph W. Zollitsch, Stefan Ruloff, Yan Fett +4
Whereas the laser is nowadays an ubiquitous technology, applications for its microwave analogue, the maser, remain highly specialized, despite the excellent low-noise microwave amp…