“All-Three-in-One”: A New Bismuth–Tellurium–Borate Bi₃TeBO₉ Exhibiting Strong Second Harmonic Generation Response

Abstract

A new nonlinear optical (NLO) material, BiTeBO (BTBO), is successfully grown from high temperature solution method. BTBO crystallizes in a polar space group of P6 with a framework structure composed of [BiO] blocks, with TeO and BO interconnection. It is interesting that in the BTBO structure three types of NLO-active units, including stereochemically active lone pair cations (Bi cations), second-order Jahn-Teller distorted octahedra (TeO octahedra) and π-orbital planar groups (BO groups), simultaneously exist. The additive contribution from these three types of groups results in an extremely large second harmonic generation (SHG) response in BTBO (about 20 times that of KDP), exhibiting the largest SHG effect among the known borate NLO materials. The enhancement of the nonlinear optical property is elucidated by the first-principles analysis.

Bi3TeBO9: electronic structure, optical properties and photoinduced phenomena

“…The reference CIF file used for this analysis was received from the supplementary data given in Ref. [7]. The obtained BTBO powder diffraction pattern is shown in Fig.…”

“…Recently, Bi 3 TeBO 9 (BTBO) crystal, having very large second-order nonlinear optical susceptibilities, was discovered [6,7]. The preliminary data indicate that its nonlinear optical coefficients are, respectively, higher than in the case of the exceptional a-BiB 3 O 6 (a-BIBO) compound [7].…”

Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials

“…[18] By doing so,quite afew candidates for UV/DUV NLO materials have been discovered. [19] Meanwhile,an umber of recently reported crystals with outstanding properties such as Pb 2 BO 3 Cl, [20] Cs 3 VO-(O 2 ) 2 CO 3 , [21] Bi 3 Te BO 9 , [22] APbCO 3 F( A = Rb,C s), [23] and BiFSeO 3 [24] should be good candidates as visible/near-IR NLO materials.Incontrast, in the mid-IR region (2.0-20 mm), af ew NLO materials such as AgGaS 2 , [25] AgGaSe 2 , [25] and ZnGeP 2 [26] are commercially available to date.However,they all suffer from some demerits such as low LDT and difficulty in crystal growth. Therefore,wide applications of the present materials have been severely hindered.…”

Syntheses, Crystal Structures, and Properties of Two Quaternary Selenite/Tellurite‐Nitrates with Formula of Bi(SeO3)(NO3) and Bi3(μ3‐OH)(TeO3)3(NO3)2

“…Thus, compound 1 exhibits a 2D [Bi(SeO 3 )(NO 3 )] layer in the bc plane including mixed SeO 3 2− and N(1)O 3 − anions (Figure a). These bond distances and angles are close to those reported in metal selenite‐nitrates . The calculated bond valence sum (BVS) values of 3.05, 4.04 and 4.89 for Bi(1), Se(1) and N(1), respectively, are in good agreement with the expected +3, +4 and +5.…”