140 citations · 258 across the 19 of their papers we have counts for
21 papers
Polaron Self-Trapping Rates from First Principles
Mark E. Turiansky, Joel B. Varley, Audrius Alkauskas +1
Polaron formation, also known as self-trapping, is a process akin to nonradiative carrier capture at point defects or impurities. In this work, we develop the formalism to determin…
Dilute-Limit Defect Displacements Enabled by Brillouin-Zone Sampling
Mark E. Turiansky, John L. Lyons, Noam Bernstein
Defects and their interaction with the semiconductor host lattice play an essential role in a variety of technologies. When a defect transitions between two electronic states, the…
Native defects and erbium impurities in CaWO4
Minseok Choi, Mark E. Turiansky, BaiQing Zhao +2
We perform hybrid density functional calculation to study the energetics, electronic properties, optical transitions, and migration barriers of native defects in CaWO. Oxygen a…
Charge dynamics at nitrogen impurities and nitrogen-vacancy centers in diamond
Chandan Kumar Vishwakarma, J. K. Nangoi, Mark E. Turiansky +1
The nitrogen-vacancy (NV) center in diamond is the prototype quantum defect that enables a variety of diamond-based quantum technologies. However, charge-state instability and spec…
A defect in diamond with millisecond-scale spin relaxation time at room temperature
Sounak Mukherjee, Anran Li, Johannes Eberle +16
Spin defects in diamond are promising platforms for quantum sensing. The longest electron spin relaxation times () at room temperature for solid-state defects are observed in…
High-Performance Near-Infrared Quantum Emission from Color Centers in hBN
Sean Doan, Sahil D. Patel, Yilin Chen +9
Color centers hosted in hexagonal boron nitride have emerged as a highly promising platform for single-photon emission and spin-photon technologies relevant to quantum communicatio…
Resonant states and nuclear dynamics in solid-state systems: the case of silicon-hydrogen bond dissociation
Woncheol Lee, Mark E. Turiansky, Dominic Waldhör +3
Bond breaking in the presence of highly energetic carriers is central to many important phenomena in physics and chemistry, including radiation damage, hot-carrier degradation, act…
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…
Giant Isotope Effect on the Excited-State Lifetime and Emission Efficiency of the Silicon T Centre
Moein Kazemi, Mehdi Keshavarz, Mark E. Turiansky +5
Efficient single-photon emitters are desirable for quantum technologies including quantum networks and photonic quantum computers. We investigate the T centre, a telecommunications…
Machine Learning Phonon Spectra for Fast and Accurate Optical Lineshapes of Defects
Mark E. Turiansky, John L. Lyons, Noam Bernstein
The optical properties of defects in solids produce rich physics, from gemstone coloration to single-photon emission for quantum networks. Essential to describing optical transitio…
Approximate Excited-State Potential Energy Surfaces for Defects in Solids
Mark E. Turiansky, John L. Lyons
A description of electron-phonon coupling at a defect or impurity is essential to characterizing and harnessing its functionality for a particular application. Electron-phonon coup…
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…
Carbon in GaN as a nonradiative recombination center
Fangzhou Zhao, Hongyi Guan, Mark E. Turiansky +1
Trap-assisted nonradiative recombination has been shown to limit the efficiency of optoelectronic devices. While substitutional carbon () has been suggested to be a n…
Characterization of Chromium Impurities in -GaO
Mark E. Turiansky, Sai Mu, Lukas Razinkovas +8
Chromium is a common transition-metal impurity that is easily incorporated during crystal growth. It is perhaps best known for giving rise to the 694.3 nm (1.786 eV) emission in Cr…
First-principles theory of direct-gap optical emission in hexagonal Ge and its enhancement via strain engineering
Christopher A. Broderick, Xie Zhang, Mark E. Turiansky +1
The emergence of hexagonal Ge (2H-Ge) as a candidate direct-gap group-IV semiconductor for Si photonics mandates rigorous understanding of its optoelectronic properties. Theoretica…
Rapid, in-situ neutralization of nitrogen- and silicon-vacancy centers in diamond using above-band-gap optical excitation
Christian Pederson, Nicholas S. Yama, Lane Beale +2
The charge state of a quantum point defect in a solid state host strongly determines its optical and spin characteristics. Consequently, techniques for controlling the charge state…
Dielectric Loss due to Charged-Defect Acoustic Phonon Emission
Mark E. Turiansky, Chris G. Van de Walle
The coherence times of state-of-the-art superconducting qubits are limited by bulk dielectric loss, yet the microscopic mechanism leading to this loss is unclear. Here we propose t…
Rational Design of Efficient Defect-Based Quantum Emitters
Mark E. Turiansky, Kamyar Parto, Galan Moody +1
Single-photon emitters are an essential component of quantum networks, and defects or impurities in semiconductors are a promising platform to realize such quantum emitters. Here w…
Trap-Assisted Auger-Meitner Recombination from First Principles
Fangzhou Zhao, Mark E. Turiansky, Audrius Alkauskas +1
Trap-assisted nonradiative recombination is known to limit the efficiency of optoelectronic devices, but the conventional multi-phonon emission (MPE) process fails to explain the o…
Probing the Optical Dynamics of Quantum Emitters in Hexagonal Boron Nitride
Raj N. Patel, David A. Hopper, Jordan A. Gusdorff +6
Hexagonal boron nitride is a van der Waals material that hosts visible-wavelength quantum emitters at room temperature. However, experimental identification of the quantum emitters…
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…