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Showing 2021 · cond-mat.mtrl-sciShow all

23 papers · 2 filters

cond-mat.mtrl-sci2021★ 4 cited

Graphene Layer Morphology as an Indicator of the Metals Alloy Formation at the Interface

Elena Voloshina, Beate Paulus, Yuriy Dedkov

The intercalation of different species in graphene-metal interfaces is widely used to stabilise the artificial phases of different materials. However, formation of the surface allo…

cond-mat.mtrl-sci2021★ 42 cited

Correlations in the Electronic Structure of van der Waals NiPS Crystals: An X-Ray Absorption and Resonant Photoelectron Spectroscopy Study

Mouhui Yan, Yichen Jin, Zhicheng Wu +5

The electronic structure of high-quality van der Waals NiPS crystals was studied using near-edge x-ray absorption spectroscopy (NEXAFS) and resonant photoelectron spectroscopy…

cond-mat.mtrl-sci2021★ 20 cited

Adsorption of water molecules on pristine and defective NiPX (X: S, Se) monolayers

Zhicheng Wu, Sifan Xu, Yong Zhou +3

Layered transition metal trichalcogenides MPX (M: transition metal; X: S, Se) demonstrate a wide spectrum of properties and are widely proposed as effective materials for the w…

cond-mat.mtrl-sci2021★ 1 cited

Modification of the magnetic and electronic properties of the graphene-Ni(111) interface via halogens intercalation

Yong Zhou, Roman Ovcharenko, Beate Paulus +2

Electronic decoupling of graphene from metallic and semiconducting substrates via intercalation of different species is one of the widely used approaches in studies of graphene. In…

cond-mat.mtrl-sci2021★ 15 cited

Topological Quasi-2D Semimetal CoSnS: Insights To Electronic Structure From NEXAFS and Resonant Photoelectron Spectroscopy

Mouhui Yan, Yichen Jin, Xiaofei Hou +6

The electronic structure of the natural topological semimetal CoSnS crystals was studied using near-edge x-ray absorption spectroscopy (NEXAFS) and resonant photoelectr…

cond-mat.mtrl-sci2021★ 7 cited

Interplay of structural and dynamical heterogeneity in the nucleation mechanism in Ni

Grisell Díaz Leines, Angelos Michaelides, Jutta Rogal

Gaining fundamental understanding of crystal nucleation processes in metal alloys is crucial for the development and design of high-performance materials with targeted properties.…

cond-mat.mtrl-sci2021★ 12 cited

Temperature-dependent EXAFS measurements of the Pb L3-edge allow quantification of the anharmonicity of the lead-halide bond of chlorine-substituted methylammonium (MA) lead triiodide

Götz Schuck, Daniel M. Többens, Dirk Wallacher +3

This article reports on studies of chlorine-substituted MAPbI3 using combined temperature-dependent XRD synchrotron and Pb-L3 edge EXAFS to analyze the anharmonicity of the lead ha…

cond-mat.mtrl-sci2021★ 3 cited

Atomic-scale modeling of superalloys

Thomas Hammerschmidt, Jutta Rogal, Erik Bitzek +1

Atomistic theory holds the promise for the ab initio development of superalloys based on the fundamental principles of quantum mechanics. The last years showed a rapid progress in…

cond-mat.mtrl-sci2021★ 7 cited

Ab-initio study of ultrafast spin dynamics in Gdx(FeCo){1-x} alloys

J. K. Dewhurst, Sam Shallcross, I. E. Radu +3

Using an ultrashort laser pulse we explore {\it ab-initio} the spin dynamics of Gd(FeCo) at femtosecond time scales. Optical excitations are found to drive charge from…

cond-mat.mtrl-sci2021★ 11 cited

Spin echo from erbium implanted silicon

Mark A. Hughes, Naitik A. Panjwani, Matias Urdampilleta +3

Erbium implanted silicon as a quantum technology platform has both telecommunications and integrated circuit processing compatibility. In Si implanted with Er to a concentration of…

cond-mat.mtrl-sci2021★ 18 cited

Intrinsic energy flow in laser-excited 3 ferromagnets

Daniela Zahn, Florian Jakobs, Hélène Seiler +6

Ultrafast magnetization dynamics are governed by energy flow between electronic, magnetic, and lattice degrees of freedom. A quantitative understanding of these dynamics must be ba…

cond-mat.mtrl-sci2021★ 3 cited

Magnonic Proximity Effect in Insulating Ferro- and Antiferromagnetic Trilayers

Verena Brehm, Martin Evers, Ulrike Ritzmann +1

The design of spin-transport based devices such as magnon transistors or spin valves will require multilayer systems composed of different magnetic materials with different physica…

cond-mat.mtrl-sci2021★ 15 cited

Probing the Local Dielectric Function by Near Field Optical Microscopy Operating in the Visible Spectral Range

Oisín Garrity, Alvaro Rodriguez, Niclas S. Mueller +2

The optoelectronic properties of nanoscale systems such as carbon nanotubes (CNTs), graphene nanoribbons and transition metal dichalcogenides (TMDCs) are determined by their dielec…

cond-mat.mtrl-sci2021★ 36 cited

Automated free energy calculation from atomistic simulations

Sarath Menon, Yury Lysogorskiy, Jutta Rogal +1

We devise automated workflows for the calculation of Helmholtz and Gibbs free energies and their temperature and pressure dependence and provide the corresponding computational too…

cond-mat.mtrl-sci2021★ 4 cited

Accurate Total Energies from the Adiabatic-Connection Fluctuation-Dissipation Theorem

Nick D. Woods, Michael T. Entwistle, Rex W. Godby

In the context of inhomogeneous one-dimensional finite systems, recent numerical advances [Phys. Rev. B 103, 125155 (2021)] allow us to compute the exact coupling-constant dependen…

cond-mat.mtrl-sci2021★ 5 cited

Topological energy release from collision of relativistic antiferromagnetic solitons

R. M. Otxoa, R. Rama-Eiroa, P. E. Roy +3

Magnetic solitons offer functionalities as information carriers in multiple spintronic and magnonic applications. However, their potential for nanoscale energy transport has not be…

cond-mat.mtrl-sci2021★ 16 cited

Effective exchange interaction for terahertz spin waves in iron layers

Liane Brandt, Ulrike Ritzmann, Niklas Liebing +5

The exchange stiffness is a central material parameter of all ferromagnetic materials. Its value controls the Curie temperature as well as the dynamic properties of spin waves to a…

cond-mat.mtrl-sci2021★ 8 cited

Atomistic spin model of single pulse toggle switching in MnRuGa Heusler alloys

F. Jakobs, U. Atxitia

Single femtosecond pulse toggle switching of ferrimagnetic alloys is an essential building block for ultrafast spintronics. Very different element-specific demagnetization dynamics…

cond-mat.mtrl-sci2021★ 14 cited

Template induced precursor formation in heterogeneous nucleation -- Controlling polymorph selection and nucleation efficiency

Grisell Díaz Leines, Jutta Rogal

We present an atomistic study of heterogeneous nucleation in Ni employing transition path sampling, which reveals a template precursor-mediated mechanism of crystallization. Most n…

cond-mat.mtrl-sci2021★ 32 cited

Ultrafast coherent all-optical switching of an antiferromagnet with the inverse Faraday effect

Tobias Dannegger, Marco Berritta, Karel Carva +4

We explore the possibility of ultrafast, coherent all-optical magnetization switching in antiferromagnets by studying the action of the inverse Faraday effect in CrPt, an easy-plan…

cond-mat.mtrl-sci2021★ 23 cited

Strong light-matter coupling in MoS

Patryk Kusch, Niclas S. Mueller, Martin T. Hartmann +1

Polariton-based devices require materials where light-matter coupling under ambient conditions exceeds losses, but our current selection of such materials is limited. Here we measu…

cond-mat.mtrl-sci2021★ 41 cited

A review of modelling in ferrimagnetic spintronics

Joseph Barker, Unai Atxitia

In this review we introduce computer modelling and simulation techniques which are used for ferrimagnetic materials. We focus on models where thermal effects are accounted for, ato…

cond-mat.mtrl-sci2021

A full gap above the Fermi level: the charge density wave of monolayer VS2

Camiel van Efferen, Jan Berges, Joshua Hall +15

In the standard model of charge density wave (CDW) transitions, the displacement along a single phonon mode lowers the total electronic energy by creating a gap at the Fermi level,…