5 papers
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…
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…
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…
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…
An efficient Multiple Scattering method based on partitioning of scattering matrix by angular momentum and approximations of matrix elements
Junqing Xu, Keisuke Hatada, Didier Sébilleau +1
We present a numerically efficient and accurate Multiple Scattering formalism, which is a generalization of the Multiple Scattering method with a truncated basis set [X. -G. Zhang…