Related papers: Defect identification based on first-principles ca…
One of the main limiting factors in the carrier mobility in semiconductor nanowires is the presence of deep trap levels. While deep-level transient spectroscopy (DLTS) has proved to be a powerful tool in analysing traps in bulk…
Full investigation of deep defect states and impurities in wide-bandgap materials by employing commercial transient capacitance spectroscopy is a challenge, demanding very high temperatures. Therefore, a high-temperature deep-level…
A deep level transient spectroscopy (DLTS) study of defects created by low-fluence, low-energy ion implantation for development of ion-implanted silicon field-effect transistors for spin-dependent transport experiments is presented.…
Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…
Defects influence the properties and functionality of all crystalline materials. For instance, point defects participate in electronic (e.g. carrier generation and recombination) and optical (e.g. absorption and emission) processes critical…
Optically and magnetically active point defects in semiconductors are interesting platforms for the development of solid-state quantum technologies. Their optical properties are usually probed by measuring photoluminescence spectra, which…
Determination of defect ionization energy in low-dimensional semiconductors has been a long-standing unsolved problem in first-principles defect calculations because the commonly used methods based on jellium model introduce an unphysical…
Nonlinear and hysteretic electrical devices are needed for applications from circuit protection to next-generation computing. Widely-studied devices for resistive switching are based on mass transport, such as the drift of ions in an…
CdTe and its alloy CdTeSe are widely used in optoelectronic devices, such as radiation detectors and solar cells, due to their superior electrical properties. However, the formation of defects and defect complexes in these materials can…
The presence of defects strongly influences semiconductor behavior. However, predicting the electronic properties of defective materials at finite temperatures remains computationally expensive even with density functional theory due to the…
Nonequilibrium electron dynamics in solids is an important subject from both fundamental and technological points of view. The recent development of laser technology has enabled us to study ultrafast electron dynamics in the time domain.…
We present a first-principles study of the structure and energetics of Bjerrum defects in ice Ih and compare the results to experimental electrical conductivity data. While the DFT result for the activation energy is in good agreement with…
Defects in solid-state materials play a central role in determining coherence, stability, and performance in quantum technologies. Although narrowband techniques can probe specific resonances with high precision, a broadband spectroscopic…
Deep Learning (DL) has transformed the automation of a wide range of industries and finds increasing ubiquity in society. The high complexity of DL models and its widespread adoption has led to global energy consumption doubling every 3-4…
Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they…
Chemical defects in polyethylene (PE) can deleteriously downgrade its electrical properties and performance. Although these defects usually leave spectroscopic signatures in terms of characteristic luminescence peaks, it is nontrivial to…
Defects are crucial in determining the overall physical properties of semiconductors. Generally, the charge-state transition level (TEL), one of the key physical quantities that determines the dopability of defects in semiconductors, is…
We perform ab initio calculations of hydrogen-based tunneling defects in alumina to identify deleterious two-level systems (TLS) in superconducting qubits. The defects analyzed include bulk hydrogenated Al vacancies, bulk hydrogen…
Linear-response time-dependent density functional theory (LR-TDDFT) for core level spectroscopy using standard local functionals suffers from self-interaction error and a lack of orbital relaxation upon creation of the core hole. As a…
Direct observation of capture cross-section is challenging due to the need of extremely short filling pulses in the two-gate Deep-Level Transient Spectroscopy (DLTS). Simple estimation of cross-section can be done from DLTS and Admittance…