181 citations · 346 across the 15 of their papers we have counts for
15 papers
Electronic excitations and spin interactions in chromium trihalides from embedded many-body wavefunctions
Ravi Yadav, Lei Xu, Michele Pizzochero +3
Although chromium trihalides are widely regarded as a promising class of two-dimensional magnets for next-generation devices, an accurate description of their electronic structure…
Exciton dissociation in two-dimensional transition metal dichalcogenides: Excited states and substrate effects
Tao Zhu, Chenhang Zheng, Lei Xu +1
Exciton dissociation plays a crucial role in the performance of optoelectronic devices based on two-dimensional (2D) transition metal dichalcogenides (TMDs). In this work, we inves…
Unraveling the orbital physics in a canonical orbital system KCuF
Jiemin Li, Lei Xu, Mirian Garcia-Fernandez +9
We explore the existence of the collective orbital excitations, orbitons, in the canonical orbital system KCuF. Using the Cu -edge resonant inelastic X-ray scattering we s…
Spin-reversal energy barriers of 305 K for Fe ions with linear ligand coordination
Lei Xu, Ziba Zangeneh, Ravi Yadav +4
A remarkably large magnetic anisotropy energy of 305 K is computed by quantum chemistry methods for divalent Fe substitutes at Li-ion sites with point-group s…
Superexchange interactions between spin-orbit-coupled ions in oxides with face-sharing ligand octahedra
Lei Xu, Ravi Yadav, Viktor Yushankhai +3
Using ab initio wave-function-based calculations, we provide valuable insights with regard to the magnetic exchange in 5 and 4 oxides with face-sharing ligand octahedra, BaIr…
Large valley splitting in monolayer WS by proximity coupling to an insulating antiferromagnetic substrate
Lei Xu, Ming Yang, Lei Shen +3
Lifting the valley degeneracy is an efficient way to achieve valley polarization for further valleytronics operations. In this work, we demonstrate that a large valley splitting ca…