Terahertz emission from lithium ternary chalcopyrite crystals

Takeya, Kei; Takemoto, Y.; Matsukawa, T.; Yoshimura, Masashi; Kawayama, Iwao; Murakami, Hironaru; Mori, Yusuke; Tonouchi, Masayoshi

doi:10.1109/icimw.2010.5612751

Cited by 1 publication

(1 citation statement)

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“…The group I–III–VI 2 compounds have received a great deal of study over the past decade. Within this set, ternary lithium‐containing chalcogenides with the general formula LiB III Se 2 (B = Ga, In) are widely popular because of their promising applications in nonlinear optical devices, terahertz (THz) emission, and light‐emitting diodes . Due to lithium being directly incorporated into the structure, these lithium‐containing chalcogenide materials possess great technological importance because of their significantly different thermal and optical‐electrical properties compared to their heavier monovalent cation (Ag, Cu) analog, allowing them to possess relatively higher energetic phonon modes and larger forbidden gaps .…”

Section: Introductionmentioning

confidence: 99%

Density functional theory investigation of the LiIn_1-x Ga_x Se₂ solid solution

Wiggins

Batista

Bürger

et al. 2016

Phys. Status Solidi B

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Phone: þ01 865 241 0675, Fax: þ01 865 576 4324The electronic structure and optical properties of the LiIn 1-x Ga x Se 2 (x ¼ 0, 0.25, 0.5, 0.75, 1) solid solution were studied by density functional theory (DFT) with pure functionals. The exchange-correlation is treated within the local density approximation (LDA) and generalized-gradient approximation (GGA). The electronic structures for each respective compound are discussed in detail. Calculations reveal that gallium incorporation can be used to tune the optical-electrical properties of the solid solution and correlates with the lattice parameter. The band gap trend of the LiIn 1-x Ga x Se 2 system follows a nonlinear behavior between the LiInSe 2 and LiGaSe 2 ternary boundaries. The bowing parameter is estimated to be on the order of 0.1-0.3 eV at the G-point. Low-temperature optical absorption revealed a 30% change in the temperature dependence of the band gap for the intermediate compound LiIn 0.6 Ga 0.4 Se 2 compared to ternary boundaries and suggests the heat capacity to be another control element through strain.

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Section: Introductionmentioning

confidence: 99%