ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors
نویسندگان
چکیده
Automatic Defect Analysis and Qualification (ADAQ) is a collection of automatic workflows developed for high-throughput simulations magneto-optical properties point defect in semiconductors. These handle the vast number defects by automating processes to relax unit cell host material, construct supercells, create clusters, execute calculations both electronic ground excited states. The main outputs are which include zero-phonon lines, zero-field splitting, hyperfine coupling parameters. In addition, formation energies calculated. We demonstrate capability ADAQ performing complete characterization silicon vacancy carbide polytype 4H (4H-SiC).
منابع مشابه
Magneto-Optical properties of GaP single crystal
The temperature dependence of magneto-optical and magneto-photoconductivity measurements were carried out in the range of (200-330) K. A home made optical cryostat was used for the measurements. The measured room temperature value of the energy gap was found to be 2.211 eV. The temperature coefficient of energy gap was found to be -5.48×10-4 eV/K obtained by the optical absorption method and -4...
متن کاملMAGNETO-TRANSPORT AND MAGNETO-OPTICAL PROPERTIES OF FERROMAGNETIC (III,Mn)V SEMICONDUCTORS: A REVIEW
Rapid developments in material research of metallic ferromagnetic (III,Mn)V semiconductors over the past few years have brought a much better understanding of these complex materials. We review here some of the main developments and current understanding of the bulk properties of these systems within the metallic regime, focusing principally on the magneto-transport and magneto-optical properti...
متن کاملcontrol of the optical properties of nanoparticles by laser fields
در این پایان نامه، درهمتنیدگی بین یک سیستم نقطه کوانتومی دوگانه(مولکول نقطه کوانتومی) و میدان مورد مطالعه قرار گرفته است. از آنتروپی ون نیومن به عنوان ابزاری برای بررسی درهمتنیدگی بین اتم و میدان استفاده شده و تاثیر پارامترهای مختلف، نظیر تونل زنی(که توسط تغییر ولتاژ ایجاد می شود)، شدت میدان و نسبت دو گسیل خودبخودی بر رفتار درجه درهمتنیدگی سیستم بررسی شده اشت.با تغییر هر یک از این پارامترها، در...
15 صفحه اولOptical Properties of Semiconductors
1 Rolf W. Martin, Esslingen University of Applied Sciences, Department of Basic Sciences, Flandernstr. 101, 73732 Esslingen, Germany, [email protected] 2 Otto A. Strobel, Esslingen University of Applied Sciences, Department of Basic Sciences, Flandernstr. 101, 73732 Esslingen, Germany, [email protected] Abstract – A computer based laboratory experiment in the physics lab fo...
متن کاملSolutions of diffusion equation for point defects
An analytical solution of the equation describing diffusion of intrinsic point defects in semiconductor crystals has been obtained for a one-dimensional finite-length domain with the Robin-type boundary conditions. The distributions of point defects for different migration lengths of defects have been calculated. The exact analytical solution was used to verify the approximate numerical solutio...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2021
ISSN: ['1879-2944', '0010-4655']
DOI: https://doi.org/10.1016/j.cpc.2021.108091