Related papers: Identifying Direct Bandgap Silicon Structures with…

In this paper the efficiency of direct charged particle detection with different Silicon PhotoMultiplier (SiPM) sensors has been measured to be close to 100%. Time resolution of about 20 ps has also been confirmed for sensors with an active…

We have studied the electronic band properties of 2H-SiC and 4H-SiC silicon carbide polytypes. The structures of the electronic bands and density of state (DOS) using ab initio Density Functional Theory (DFT) were calculated for the first…

We explore the direct to indirect band gap transitions in MX$_2$ (M= Mo/W, X= S/Se) transition metal dichalcogenides heterobilayers for different system compositions, strains, and twist angles based on first principles density functional…

The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic devices and batteries. Here, we report three previously unexplored materials with very high dielectric constants (69 $<$ $\epsilon$ $<$ 101)…

The conventional classification of direct band-gap semiconductors relies on point-like extrema in momentum space. Here, we introduce the concept of domain-direct band gaps, where the conduction-band minimum (CBM) and valence-band maximum…

The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively reveal the correlations between X-ray or…

Direct bandgap bulk materials are very important for the optical applications. It is therefore important to predict new materials with the desired properties. In the present work, density functional theory is applied to study different…

By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investigated. We report the study of Ge and Sn substitution in the…

Both theoretical and experimental analysis are carried out to understand the physical properties of the fascinating electronic and optical properties of antimony tungstate (Sb$_2$WO$_6$). The nanosized ($\sim 40-80~nm$) material is produced…

Direct energy bandgap materials are crucial for the efficient optoelectronics devices. Therefore, the investigation of new direct gap materials is important. In the present work, two novel d-metal sulfides Sc2CdS4 and Y2CdS4 compounds are…

The millimeter sized monolayer and bilayer 2H-MoTe2 single crystal samples are prepared by a new mechanical exfoliation method. Based on such high-quality samples, we report the first direct electronic structure study on them, using…

Rich soft X-ray emission lines of highly charged silicon ions (Si VI--Si XII) were observed by irradiating an ultra-intense laser pulse with width of 200 fs and energy of $\sim$90 mJ on the solid silicon target. The high resolution spectra…

The optical properties of silicon can be greatly tuned by applying strain and opening new perspectives, particularly in applications where infrared is key. In this work, we use a recent model for the indirect light absorption of silicon and…

The cubic $Ia\bar{3}$ (BC8) and tetragonal $P4_32_12$ (ST12) high pressure modifications of Si and Ge are attractive candidates for applications in optoelectronic, thermoelectric or plasmonic devices. Si$_x$Ge$_{1-x}$ alloys in BC8/ST12…

Three-dimensional complete photonic bandgap materials or photonic crystals block light propagation in all directions. The rod-connected diamond structure exhibits the largest photonic bandgap known to date and supports a complete bandgap…

In beam test experiments have been carried out for particle identification using digital pulse shape analysis in a 500~$\mu$m thick Neutron Transmutation Doped (nTD) silicon detector with an indigenously developed FPGA based 12 bit…

Silicon photoluminescence and lasing have been critical issues to breakthrough bottlenecks in the understanding of luminescence mechanisms. Unfortunately, long-standing disputes about the exciton recombination mechanism and fluorescence…

In this Letter, we demonstrate that it is possible to form a two-dimensional (2D) silicene-like Si$_5$Ge compound by replacing the Si atoms occupying on-top sites in the planar-like structure of epitaxial silicene on ZrB$_2$(0001) by…

A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimation of band gaps in standard DFT approximations, a number of…

Employing density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be de- rived from its bulk counterpart. It is found…