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Density Functional Theory (DFT) calculations not only allow to predict the vibrational and optical properties of solids but also to understand and disentangle the mechanisms playing a key role in the generation of coherent optical phonons.…

Materials Science · Physics 2025-10-09 A. Levchuk , R. Busselez , G. Vaudel , P. Ruello , V. Juvé , B. Arnaud

Cu2ZnSnS4 (CZTS) is a promising photovoltaic absorber material with earth abundant and nontoxic elements. However, the detrimental native defects and secondary phases of CSTS will largely reduce the energy conversion efficiencies. To…

Materials Science · Physics 2017-11-15 Yiou Zhang , Kinfai Tse , Xudong Xiao , Junyi Zhu

Ga2O3 thin films were deposited by reactive magnetron sputtering from a liquid gallium target. The influence of deposition temperature, substrate type, and discharge parameters on the structural and electrical properties was systematically…

Materials Science · Physics 2026-05-01 Petr Novak , Jan Koloros , Stanislav Haviar , Jiri Rezek , Pavel Baroch

It is well known that the high electric conductivity, large Seebeck coefficient, and low thermal conductivity are preferred for enhancing thermoelectric performance, but unfortunately, these properties are strongly inter-correlated with no…

Applied Physics · Physics 2021-11-15 Aijun Hong , Yuxia Tang , Junming Liu

We present a comparative study between ReN3 and AgN3 by using density functional theory. The ReN3 is a hypothetical compound proposed by us to interpret the Re to Re interplanar spacing of thin films grown by sputtering. Both, the AgN3 as…

Materials Science · Physics 2012-11-09 G. Soto

Zinc telluride (ZnTe) thin films have special semiconducting characteristics that make them very promising for a broad range of optoelectronic applications. In this work, a novel approach for synthesizing ZnTe thin films by spin coating…

Large-area deposition of Aluminium-Scandium-Nitride (Al1-xScxN) thin films with higher Sc content (x) remains challenging due to issues such as abnormal orientation growth, stress control, and the undesired crystal phase. These anomalies…

Aluminum nitride (AlN) is an emerging material for integrated quantum photonics with its excellent linear and nonlinear optical properties. In particular, its second-order nonlinear susceptibility $\chi^{(2)}$ allows single-photon…

Materials Science · Physics 2021-06-29 G. Terrasanta , M. Müller , T. Sommer , S. Geprägs , R. Gross , M. Althammer , M. Poot

Zinc nitride films were synthesized by reactive radio frequency (rf) magnetron sputtering of a zinc target using an Ar+N2 mixture. The as-deposited films were annealed in the air and O2 at 300 {\deg}C for 1 hr. The XRD measurements…

Materials Science · Physics 2023-01-18 Ting Wen , Ahalapitiya H Jayatissa

We combine for the first time the properties of ordered mesoporous thin films and complex oxide nanoparticles in the design of new heterostructures, taking advantage of the accessible tridimensional pores network. In this work, we…

Mesoscale and Nanoscale Physics · Physics 2026-01-01 S. Passanante , M. Quintero , A. Zelcer , M. S. Moreno , D. Lionello , D. Vega , L. P. Granja

Bulk solid state synthesis of nitride materials usually leads to thermodynamically stable, cation-ordered crystal structures, whereas thin film synthesis tends to favor disordered, metastable phases. This dichotomy is inconvenient both for…

We demonstrate high-resolution non-iterative holographic coherent diffraction imaging with hard X-rays using a novel phase-shifting reference, fabricated by atomic layer deposition to produce nanosharp 3D structure. The method surpasses the…

Mesoscale and Nanoscale Physics · Physics 2016-10-17 Mirna Saliba , Jeroen Bosgra , Christoph Rau , Christian David , Aaron D. Parsons , Ulrich H. Wagner , Pierre Thibault

Controlling the crystal phase and lattice mismatch of semiconductors offers a powerful route to engineer electronic and optical properties of heterostructures. As a consequence, semiconductors in the wurtzite phase are increasingly sought…

Materials Science · Physics 2025-12-16 Aisling Power , Cara-Lena Nies , Stefan Schulz

We present recent achievement on manufacturing optical filter and multilayers done with two complementary RF magnetron sputtering approaches: deposition duration control and in situ optical reflectance monitoring. Those approaches were…

Transition metal nitrides have recently gained attention in the fields of plasmonics, plasmon-enhanced photocatalysis, photothermal applications, and nonlinear optics because of their suitable optical properties, refractory nature, and…

Phase equilibria in the Al-Ti-Nb-Zr-Ta refractory complex concentrated alloy system were investigated using a high throughput experimental approach. A pseudo-ternary section of the quinary compositional space was prepared by a honeycomb…

Resonant properties of composite structures consisting of several identical resonant diffractive structures (e.g. multilayer thin-film structures or guided-mode resonance gratings) separated by phase-shift layers are investigated…

In recent years, demand for scintillation detectors with high time resolution (better than 100 ps) has emerged in high-energy physics and medical imaging applications. In particular, time of flight positron emission tomography (TOF-PET) can…

Instrumentation and Detectors · Physics 2022-09-14 V. S. Shevelev , A. V. Ishchenko , A. S. Vanetsev , V. Nagirnyi , S. I. Omelkov

The wurtzite phase group III-Nitrides (AlN, GaN, InN) have attracted great interest due to their successful applications in the optoelectronics since the 90's. In this paper we perform a comprehensive study of AlN, GaN and InN structural…

We demonstrate a non-destructive approach to provide structural properties on the grain level for the absorber layer of kesterite solar cells. Kesterite solar cells are notoriously difficult to characterize structurally due to the…