First-principles calculations for point defects in solids

C Freysoldt, B Grabowski, T Hickel, J Neugebauer… - Reviews of modern …, 2014 - APS
Point defects and impurities strongly affect the physical properties of materials and have a
decisive impact on their performance in applications. First-principles calculations have …

Tutorial: Defects in semiconductors—Combining experiment and theory

A Alkauskas, MD McCluskey… - Journal of Applied …, 2016 - pubs.aip.org
Point defects affect or even completely determine physical and chemical properties of
semiconductors. Characterization of point defects based on experimental techniques alone …

Carbonization mechanisms of polyimide: Methodology to analyze carbon materials with nitrogen, oxygen, pentagons, and heptagons

T Kato, Y Yamada, Y Nishikawa, H Ishikawa, S Sato - Carbon, 2021 - Elsevier
Carbonization process of pyromellitic dianhydride (PMDA)-4, 4′-diaminodiphenyl ether
(ODA)-type polyimide has been studied for decades. However, various reaction …

Nitrogen in diamond

MNR Ashfold, JP Goss, BL Green, PW May… - Chemical …, 2020 - ACS Publications
Nitrogen is ubiquitous in both natural and laboratory-grown diamond, but the number and
nature of the nitrogen-containing defects can have a profound effect on the diamond …

[图书][B] Physics of semiconductors

M Grundmann - 2010 - Springer
Semiconductor electronics is commonplace in every household. Semiconductor devices
have enabled economically reasonable fiber-based optical communication, optical storage …

Isotope effects on the optical spectra of semiconductors

M Cardona, MLW Thewalt - Reviews of modern physics, 2005 - APS
Since the end of the cold war, macroscopic amounts of separated stable isotopes of most
elements have been available “off the shelf” at affordable prices. Using these materials …

[图书][B] Dopants and defects in semiconductors

MD McCluskey, EE Haller - 2018 - books.google.com
Praise for the First Edition" The book goes beyond the usual textbook in that it provides more
specific examples of real-world defect physics... an easy reading, broad introductory …

Reassessment of the intrinsic carrier density in crystalline silicon in view of band-gap narrowing

PP Altermatt, A Schenk, F Geelhaar… - Journal of Applied …, 2003 - pubs.aip.org
The commonly used value of the intrinsic carrier density of crystalline silicon at 300 K is ni=
1.00× 10 10 cm− 3. It was experimentally determined by Sproul and Green, J. Appl. Phys …

From molecular vibrations to bonding, chemical reactions, and reaction mechanism

D Cremer, E Kraka - Current Organic Chemistry, 2010 - ingentaconnect.com
The vibrational motions of a molecule in its equilibrium or during a chemical reaction provide
a wealth of information about its structure, stability, and reactivity. This information is hidden …

Hydrogen in semiconductors

CG Van de Walle, J Neugebauer - Annu. Rev. Mater. Res., 2006 - annualreviews.org
▪ Abstract Hydrogen strongly affects the properties of electronic materials. Interstitial
monatomic hydrogen is always electrically active and usually counteracts the prevailing …