Crystal Growth and First-Principles Calculations of the Mid-IR Laser Crystal Dy3+:PbGa2S4

• DOI: 10.1021/acs.cgd.9b01230
• Publication Date: 2020-01-09T16:42:57Z
• Authors: Changbao Huang; Youbao Ni; Haixin Wu; Zhenyou Wang; Pengfei Jiang; Weimin Han
• Keywords: Crystal (programming language)

A Dy3+-doped PbGa2S4 crystal with low phonon energy has been proved to be able achieve the direct lasing of a mid-infrared laser. The single-crystal growth Dy3+:PbGa2S4 was investigated in this work. On basic high-purity polycrystalline material synthesized using pressure-assisted method, single φ 21 × 50 mm3 successfully grown Bridgman method crucible–capsule technique. To understand cleavage character and get further insight into its electronic properties, electronic, phonon, mechanical properties host were first-principles calculations. exhibits not only large gap (2.76 eV) but also (392 cm–1) due incorporation heavy Pb atoms between interlayers. high-frequency bands are mainly contributed by vibrations Ga–S layer network formed GaS4 units. However, weak Pb–S bonding connecting alternating layers results behavior crystal. We believe that paper could provide useful references for preparing or designing new chalcogenide hosts lasers.