168 citations · 621 across the 10 of their papers we have counts for
10 papers
A CN complex as an alternative to the T center in Si
J. K. Nangoi, M. E. Turiansky, C. G. Van de Walle
We present a first-principles study of a carbon-nitrogen (CN) impurity complex in silicon as an isoelectronic alternative to the T center [(CCH)]. The latter has been…
Design of high-mobility p-type GaN via the piezomobility tensor
Jie-Cheng Chen, Joshua Leveillee, Chris G. Van de Walle +1
Gallium nitride (GaN) is a wide-bandgap semiconductor of significant interest for applications in solid-state lighting, power electronics, and radio-frequency amplifiers. An import…
Clarification of the Spontaneous Polarization Direction in Crystals with Wurtzite Structure
Simon Fichtner, Mohamed Yassine, Chris van de Walle +1
The wurtzite structure is one of the most frequently found crystal structures in modern semiconductors and its inherent spontaneous polarization is a defining materials property. D…
Impact of Absorption due to Zero-Field Splitting on Loss in Dielectrics: A Case Study in Sapphire
Mark E. Turiansky, Chris G. Van de Walle
The coherence times of superconducting qubits are limited by loss mechanisms, whose microscopic origins have remained elusive. We propose a mechanism caused by transitions between…
Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN and MgSiN
Joshua Leveillee, Samuel Ponce, Nicholas L. Adamski +2
The key obstacle toward realizing integrated gallium nitride (GaN) electronics is its low hole mobility. Here, we explore the possibility of improving the hole mobility of GaN via…
Nonrad: Computing Nonradiative Capture Coefficients from First Principles
Mark E. Turiansky, Audrius Alkauskas, Manuel Engel +5
Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonr…
Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride
Mazena Mackoit-Sinkeviciene, Marek Maciaszek, Chris G. Van de Walle +1
We propose that the carbon dimer defect in hexagonal boron nitride gives rise to the ubiquitous narrow luminescence band with a zero-phonon line of 4.08 eV (usually labeled the 4.1…
Defect identification based on first-principles calculations for deep level transient spectroscopy
Darshana Wickramaratne, Cyrus E. Dreyer, Bartomeu Monserrat +4
Deep level transient spectroscopy (DLTS) is used extensively to study defects in semiconductors. We demonstrate that great care should be exercised in interpreting activation energ…
Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors
Audrius Alkauskas, Cyrus E. Dreyer, John L. Lyons +1
Defect-assisted recombination is an important limitation on efficiency of optoelectronic devices. However, since nonradiative capture rates decrease exponentially with energy of th…
Structural investigation of the bilayer iridate Sr3Ir2O7
Tom Hogan, Lars Bjaalie, Liuyan Zhao +5
A complete structural solution of the bilayer iridate compound Sr3Ir2O7 presently remains outstanding. Previously reported structures for this compound vary and all fail to explain…