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Antimony shows promise as a two-dimensional (2D) mono-elemental crystal, referred to as antimonene. When exposed to ambient conditions, antimonene layers react with oxygen, forming new crystal structures, leading significant changes in…

Materials Science · Physics 2024-06-26 Stefan Wolff , Roland Gillen , Janina Maultzsch

Two-dimensional (2D) structures of boron atoms so called borophene, have recently attracted remarkable attention. In a latest exciting experimental study, a hydrogenated borophene structure was realized. Motivated by this success, we…

Anthracene derivative compounds are currently investigated because of their unique physical properties (e.g., bright luminescence and emission tunability), which make them ideal candidates for advanced optoelectronic devices. Intermolecular…

The design of crystal materials plays a critical role in areas such as new energy development, biomedical engineering, and semiconductors. Recent advances in data-driven methods have enabled the generation of diverse crystal structures.…

Artificial Intelligence · Computer Science 2025-12-12 Chao Huang , Jiahui Chen , Chen Chen , Chen Chen , Chunyan Chen , Renjie Su , Shiyu Du

We investigated the valence electronic structure of diamondoid particles in the gas phase, utilizing valence photoelectron spectroscopy. The samples were singly or doubly covalently bonded dimers or trimers of the lower diamondoids. Both…

Two-dimensional crystals, single sheets of layered materials, often show distinct properties desired for optoelectronic applications, such as larger and direct band gaps, valley- and spinorbit effects. Being atomically thin, the low amount…

Materials Science · Physics 2018-11-14 Roman Kempt , Agnieszka Kuc , Jae Hyo Han , Jinwoo Cheon , Thomas Heine

The ability to selectively redirect specific wavelengths of light has attracted a lot attention for photonic crystal materials. Presently, there is a wealth of research relating to the fabrication and application of photonic crystal…

Optics · Physics 2022-08-23 Alex Lonergan , Colm O'Dwyer

The actinide elemental metals are scare, often toxic and radio active, causing challenges for both experiments and theory while offering fascinating physics. For practical purposes they are the prevalent building blocks for materials where…

Materials Science · Physics 2016-08-26 P. Soderlind

The fabrication of well-defined, low-dimensional diamondoid-based materials is a promising approach for tailoring diamond properties such as superconductivity. On-surface self-assembly of halogenated diamondoids under ultrahigh vacuum…

We report the structural and magnetic characterizations of Ba3TeCo3P2O14, Pb3TeCo3P2O14, and Pb3TeCo3V2O14, compounds that are based on the mineral Dugganite, which is isostructural to Langasites. The magnetic part of the structure consists…

Materials Science · Physics 2013-06-21 J. W. Krizan , C. de la Cruz , N. H. Andersen , R. J. Cava

We present a detailed quantum mechanical non empirical DFT investigation of the energy-optimized geometries, phase stabilities and electronic properties of bulk Pt3N, PtN and PtN2 in a set of twenty different crystal structures. Structural…

Materials Science · Physics 2013-01-24 Mohammed S. H. Suleiman , Daniel P. Joubert

Using a valence force field model based on that introduced by Martin, we present three related methods through which we analytically determine valence force field parameters. The methods introduced allow easy derivation of valence force…

Materials Science · Physics 2019-10-09 Daniel S. P. Tanner , Miguel A. Caro , Stefan Schulz , Eoin P. O'Reilly

Coupling of atoms is the basis of chemistry, yielding the beauty and richness of molecules. We utilize semiconductor nanocrystals as artificial atoms to form nanocrystal molecules that are structurally and electronically coupled. CdSe/CdS…

The structural and optical properties of 3 different kinds of GaAs nanowires with 100% zinc-blende structure and with an average of 30% and 70% wurtzite are presented. A variety of shorter and longer segments of zinc-blende or wurtzite…

It is shown that small inclusions of a low absorbing metal can have a dramatic effect on the photonic band structure. In the case of diamond and zinc-blende photonic crystals, several complete photonic band gaps (CPBG's) can open in the…

Materials Science · Physics 2007-05-23 Alexander Moroz

Structural defects are ubiquitous in condensed matter, and not always a nuisance. For example, they underlie phenomena such as Anderson localization and hyperuniformity, and they are now being exploited to engineer novel materials. Here, we…

The work is necessitated by search for new materials to detect ionizing radiation. The rare-earth ions doped with ternary alkali earth-halide systems are promising scintillators showing high efficiency and energy resolution. Some aspects of…

Materials Science · Physics 2017-08-01 R. Shendrik , A. Myasnikova , A. Shalaev , A. Bogdanov , E. Kaneva , A. Rusakov , A. Vasilkovskyi

Using angle-resolved photoelectron spectroscopy, we compare the electronic band structure of an ultrathin (1.8 nm) {\delta}-layer of boron-doped diamond with a bulk-like boron doped diamond film (3 {\mu}m). Surprisingly, the measurements…

When two-dimensional crystals are brought into close proximity, their interaction results in strong reconstruction of electronic spectrum and local crystal structure. Such reconstruction strongly depends on the twist angle between the two…

Mesoscale and Nanoscale Physics · Physics 2025-10-27 C. R. Woods , P. Ares , H. Nevison-Andrews , M. J. Holwill , R. Fabregas , F. Guinea , A. K. Geim , K. S. Novoselov , N. R. Walet , L. Fumagalli

High-\Qm{} mechanical resonators are crucial for applications where low noise and long coherence time are required, as mirror suspensions, quantum cavity optomechanical devices, or nanomechanical sensors. Tensile strain in the material…

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