High-throughput identification of spin-photon interfaces in silicon

Y Xiong, C Bourgois, N Sheremetyeva, W Chen… - Science …, 2023 - science.org
Color centers in host semiconductors are prime candidates as spin-photon interfaces for
quantum applications. Finding an optimal spin-photon interface in silicon would move …

A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation

JC Thomas, W Chen, Y Xiong, BA Barker… - Nature …, 2024 - nature.com
Point defects in two-dimensional materials are of key interest for quantum information
science. However, the parameter space of possible defects is immense, making the …

Expanding PyProcar for new features, maintainability, and reliability

L Lang, P Tavadze, A Tellez, E Bousquet, H Xu… - Computer Physics …, 2024 - Elsevier
This paper presents a comprehensive update to PyProcar, a versatile Python package for
analyzing and visualizing density functional theory (DFT) calculations in materials science …

[HTML][HTML] ADAQ: automatic workflows for magneto-optical properties of point defects in semiconductors

J Davidsson, V Ivády, R Armiento… - Computer Physics …, 2021 - Elsevier
Abstract Automatic Defect Analysis and Qualification (ADAQ) is a collection of automatic
workflows developed for high-throughput simulations of magneto-optical properties of point …

Temperature dependence of the AB lines and optical properties of the carbon–antisite-vacancy pair in

O Bulancea-Lindvall, J Davidsson, IG Ivanov, A Gali… - Physical Review …, 2024 - APS
Defects in semiconductors have in recent years been revealed to have interesting properties
in the venture towards quantum technologies. In this regard, silicon carbide has shown great …

Characterization of induced quasi-two-dimensional transport in n-type InxGa1−xAs1 − yBiy bulk layer

M Aydin, SN Yilmaz, J Bork, J Zide, A Erol, O Donmez - Applied Physics A, 2024 - Springer
The temperature-dependent transport properties of n-type InGaAsBi epitaxial alloys with
various doping densities are investigated by conducting magnetoresistance (MR) and Hall …

Structural dynamics in hybrid halide perovskites: Bulk Rashba splitting, spin texture, and carrier localization

C Zheng, S Yu, O Rubel - Physical Review Materials, 2018 - APS
The extended charge carrier lifetime in hybrid halide perovskites was attributed to a quasi-
indirect band gap that arises due to a Rashba splitting in both conduction and valence band …

Scaling theory of wave confinement in classical and quantum periodic systems

M Kozoň, A Lagendijk, M Schlottbom… - Physical review …, 2022 - APS
Functional defects in periodic media confine waves—acoustic, electromagnetic, electronic,
spin, etc.—in various dimensions, depending on the structure of the defect. While defects are …

Designing transparent conductors using forbidden optical transitions

R Woods-Robinson, Y Xiong, JX Shen, N Winner… - Matter, 2023 - cell.com
Many semiconductors present weak or forbidden transitions at their fundamental band gaps,
inducing a widened region of transparency. This occurs in high-performing n-type …

Influence of growth kinetics on Sn incorporation in direct band gap Ge 1− x Sn x nanowires

J Doherty, S Biswas, D Saladukha… - Journal of Materials …, 2018 - pubs.rsc.org
Ge1− xSnx alloys with substantial incorporation of Sn show promise as direct bandgap
group IV semiconductors. This article reports the influence of growth kinetics on Sn inclusion …