Dataset for "Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties"

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The atomic configuration of phases and their interfaces is fundamental to materials design and engineering. Here, we unveil a transition metal oxide interface, whose formation is driven by energetic influences─epitaxial tensile strain versus oxygen octahed ...

The initial and evolving microstructure during the tensile test of two Fe-17Mn-5Si-10Cr-4Ni shape memory alloys, with and without V, C and fabricated by laser powder bed fusion are investigated and compared via electron backscattered diffraction, transmiss ...

Energy dispersive x-ray (EDX) spectrum imaging yields compositional information with a spatial resolution down to the atomic level. However, experimental limitations often produce extremely sparse and noisy EDX spectra. Under such conditions, every detecte ...

Since the discovery of graphene in 2004, there has been rapid progress in research on two-dimensional (2D) material’s potential applications with significant impact. Efforts to bring 2D materials closer to industrial production, quality assessment, and sta ...

Coherent superposition of electronic states, created by ionizing a molecule, can initiate ultrafast dynamics of the electron density. Correlation between nuclear and electron motions, however, typically dissipates the electronic coherence in only a few fem ...

Carbon dioxide electrolysis (CO 2 E) in fully aprotic organic electrolytes primarily yields oxalate (C 2 O 4 2−), carbon monoxide (CO), and carbonate (CO 3 2−). To understand this system, we investigated the adsorption dynamics in the CO adsorption region ...

The oxidation behavior of stoichiometric Ti0.12Al0.21B0.67 coatings is investigated by scanning transmission electron microscopy (STEM) after oxidizing for 1, 4 and 8 h at 700 degrees C and at 800 and 900 degrees C. In the as deposited state, a similar to ...

Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is established as a promising material for solid-state nuclear cloc ...

We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at first order in the wave vector of light. This approach is more efficient than di ...

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

The extraordinary properties of the Kitaev model have motivated an intense search for new physics in materials that combine geometrical and bond frustration. In this Letter, we employ inelastic neutron scattering, spin wave theory, and exact diagonalizatio ...

Vibrational Raman scattering-a process where light exchanges energy with a molecular vibration through inelastic scattering-is most fundamentally described in a quantum framework where both light and vibration are quantized. When the Raman scatterer is emb ...

This paper presents a comprehensive study of hydrogenated amorphous silicon (a-Si)-based detectors, utilizing electrical characterization, Raman spectroscopy, photoemission, and inverse photoemission techniques. The unique properties of a-Si have sparked i ...

Understanding and manipulating emergent phases, which are themes at the forefront of quantummaterials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and ...

Tungsten diselenide (WSe2) is a 2D semiconducting material, promising for novel optoelectronic and phononic applications. WSe2 has complex lattice dynamics and phonon structure. Numerous discrepancies in the literature exist regarding the interpretation an ...

Iron-based shape memory alloys (Fe-SMAs) are e-merging materials with extensive application in civil structures owing to their unique properties, including the shape memory effect. However, it is crucial to understand the time dependent behavior of Fe-SMAs ...

We investigate the magnetic order in single crystalline EuCd2Sb2 thin films using a combined theoretical and experimental approach. Resonant elastic x-ray scattering experiments reveal a sharp magnetic peak at q=(0,0,12) below TN=7.2 K, indicative of inter ...

The earth-abundant and non-toxic material Zinc phosphide (Zn3P2) is a promising candidate for solar cell applications. However, growth of defect-free, high-quality thin films on substrates that can integrate with current technology (e.g. silicon) remains c ...

Nuclear power is a powerful technology that plays an important role in the fight against climate change, and research is continuously engaged in studies that could further improve its safety. After the Fukushima accident, Accident Tolerant Fuels research h ...

Metal-organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, a range of crystal structures can often be accessed from the same building b ...

Dataset for "Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties"

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Engineering Symmetry Breaking Interfaces by Nanoscale Structural-Energetics in Orthorhombic Perovskite Thin Films

Effect of precipitates on martensite formation and shape memory effect of FeMnSi-based shape memory alloys fabricated by laser powder bed fusion

A Multiscale Bayesian Approach to Quantification and Denoising of Energy-dispersive X-ray Data

Comprehensive benchmarking and user guide for the characterization of CVD-grown transition metal chalcogenides

Can increasing the size and flexibility of a molecule reduce decoherence and prolong charge migration?

CO Adsorption Dynamics during CO2 Electrolysis in Aprotic Organic Electrolytes

Passivating oxidation behavior of Ti0.12Al0.21B0.67 coatings investigated by scanning transmission electron microscopy and chemical environment dependent density functional theory simulations

Embedded cluster approach for accurate electronic structure calculations of 229Th:CaF2

Optical Spatial Dispersion Via Wannier Interpolation

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe2

Nanocavities for Molecular Optomechanics: Their Fundamental Description and Applications

Mobility Gaps of Hydrogenated Amorphous Silicon Related to Hydrogen Concentration and Its Influence on Electrical Performance

Multimodal Approach Reveals the Symmetry-Breaking Pathway to the Broken Helix in EuIn2As2

Unveiling the complex phonon nature and phonon cascades in 1L to 5L WSe2 using multiwavelength excitation Raman scattering

Characterization of low-temperature creep and stress relaxation of an iron-based shape memory alloy (Fe-SMA) using in-situ synchrotron diffraction

Magnetic structure of a single-crystal thin film of EuCd2Sb2

Towards Quantitative Terahertz Characterisation of Zinc Phosphide Thin Films for Photovoltaic Applications

Innovative thermophysical characterization of an ATF composite cladding: the case of silicon carbide

How Reproducible is the Synthesis of Zr-Porphyrin Metal-Organic Frameworks? An Interlaboratory Study