Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9
Source abstract
Abstract
The combination of the MoO6 octahedra and PO4 tetrahedra generates a new nonlinear optical crystal, KCsMoP2O9. To the best of our acknowledge, it exhibits the strongest powder second harmonic generation (SHG) response among the reported molybdates, phosphates, and molybdophosphates, 27 times that of KDP at 1064 nm. Meanwhile, it possesses a shorter UV cutoff edge (about 260 nm) than other molybdates. First-principles electronic structure analyses suggest that the strong SHG response originates from constructive alignment of O-2p orbitals in the occupied states and vibrant interaction of Mo–O orbitals in the unoccupied states.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Crystal Structures and Properties · Nonlinear Optical Materials Research · Solid-state spectroscopy and crystallography
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Funding
National Natural Science Foundation of China · Xinjiang Outstanding Young Scientific and Technological Talents · Tianshan Innovation Team Program
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