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cond-mat.mtrl-sci2021

Substrate Effect on Excitonic Shift and Radiative Lifetime of Two-Dimensional Materials

Chunhao Guo, Junqing Xu, Yuan Ping

Substrates have strong effects on optoelectronic properties of two-dimensional (2D) materials, which have emerged as promising platforms for exotic physical phenomena and outstandi…

cond-mat.mtrl-sci2020

Intersystem Crossing and Exciton-Defect Coupling of Spin Defects in Hexagonal Boron Nitride

Tyler J. Smart, Kejun Li, Junqing Xu +1

Despite the recognition of two-dimensional (2D) systems as emerging and scalable host materials of single photon emitters or spin qubits, uncontrolled and undetermined chemical nat…

cond-mat.mtrl-sci2020

Substrate screening approach for quasiparticle energies of two-dimensional interfaces with lattice mismatch

Chunhao Guo, Junqing Xu, Dario Rocca +1

Two-dimensional (2D) materials are outstanding platforms for exotic physics and emerging applications by forming interfaces. In order to efficiently take into account the substrate…

cond-mat.mtrl-sci2019

Spin-phonon relaxation from a universal \emph{ab initio} density-matrix approach

Junqing Xu, Adela Habib, Sushant Kumar +3

Designing new quantum materials with long-lived electron spin states urgently requires a general theoretical formalism and computational technique to reliably predict intrinsic spi…

cond-mat.mtrl-sci2019

Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles

Feng Wu, Tyler Smart, Junqing Xu +1

Identification and design of defects in two-dimensional (2D) materials as promising single photon emitters (SPE) requires a deep understanding of underlying carrier recombination m…