8 citations · 13 across the 15 of their papers we have counts for
8 papers · 1 filter
First principles and scanning tunneling spectroscopical evidences for thermodynamically stable "on-top" sulfur divacancy in monolayer WS
Weiru Chen, John C. Thomas, Yihuang Xiong +10
Chalcogen vacancies in monolayer transition metal dichalcogenides (TMDs), such as WS, play a crucial role in various applications ranging from optoelectronics and catalysis t…
First principles computations of the Stark shift of a defect-bound exciton: the case of the T center in silicon
Louis Alaerts, Yihuang Xiong, Sinéad M. Griffin +1
The T center in silicon has recently drawn a lot of attention for its potential in quantum information science. The sensitivity of the zero-phonon line (ZPL) to electrical field wa…
SCF in \texttt{VASP} for excited-state defect computations: tips and pitfalls
Yihuang Xiong, Geoffroy Hautier
SCF with constrained occupations have been wildly used to investigate the excited-state and optical properties of defects. Recent studies have demonstrated that combining SCF…
Identifying high performance spectrally-stable quantum defects in diamond
Yihuang Xiong, Yizhi Zhu, Shay McBride +2
Point defects in semiconductors are becoming central to quantum technologies. They can be used as spin qubits interfacing with photons, which are fundamental for building quantum n…
Discovery of T center-like quantum defects in silicon
Yihuang Xiong, Jiongzhi Zheng, Shay McBride +3
Quantum technologies would benefit from the development of high performance quantum defects acting as single-photon emitters or spin-photon interface. Finding such a quantum defect…
The Defects Genome of 2D Janus Transition Metal Dichalcogenides
Mohammed Sayyad, Jan Kopaczek, Carmem M. Gilardoni +9
Two-dimensional (2D) Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structu…
A first principles study of the Stark shift effect on the zero-phonon line of the NV center in diamond
Louis Alaerts, Yihuang Xiong, Sinéad Griffin +1
Point defects in semiconductors are attractive candidates for quantum information science applications owing to their ability to act as spin-photon interface or single-photon emitt…
Compressive-Sensing-Enhanced First-Principles Calculation of Photoluminescence Spectra in Color Centers: A Comparison between Theory and Experiment for the G Center in Silicon
Jiongzhi Zheng, Lukasz Komza, Yihuang Xiong +5
Photoluminescence (PL) spectra are a versatile tool for exploring the electronic and optical properties of quantum defect systems. In this work, we investigate the PL spectra of th…