A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances

Wu, Kui; Pan, Shilie

doi:10.1016/j.ccr.2018.09.002

Cited by 214 publications

(142 citation statements)

References 108 publications

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“…0.5 AgGaS 2 , E g > 3.0 eV). [34] Thes ynthetic efforts resulted in as eries of impressive candidates such as LiGaSe 2 (E g = 3.34 eV, d ij = 0.8 AgGaS 2 ), [35] Li 2 Ga 2 GeS 6 (E g = 3.62 eV, d ij = 1.2 AgGaS 2 ), [36] BaGa 4 S 7 (E g = 3.54 eV, d ij = 1.0 AgGaS 2 ), [37] Na 2 ZnGe 2 S 6 (E g = 3.25 eV, d ij = 0.9 AgGaS 2 ), [38] Li 2 ZnSiS 4 (E g = 3.90 eV, d ij = 1.1 AgGaS 2 ), [39] and Li[LiCs 2 Cl][Ga 3 S 6 ] (E g = 4.18 eV, d ij = 0.7 AgGaS 2 ). [40] However,i ti su sually difficult to grow large single crystals with high quality for chalcogenides because of the harsh conditions and laborintensive processes.M eanwhile,h alides were proposed as another promising mid-IR NLO materials.…”

Section: Introductionmentioning

confidence: 99%

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

2020

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To design high-performance mid-infrared (mid-IR) nonlinear optical (NLO) materials,w eh ave focused on the combination of aheavy metal lone pair cation, Pb 2+ and mixed oxyhalides.Asystematic investigation in PbO-PbCl 2 -PbBr 2 system led us to discover the first examples of NLO lead mixed oxyhalides,n amely,P b 13 O 6 Cl 4 Br 10 ,P b 13 O 6 Cl 7 Br 7 ,a nd Pb 13 O 6 Cl 9 Br 5 .A ll the reported materials have remarkably comprehensive properties including broad IR transparency (up to 14.0 mm), qualified second harmonic generation (SHG) responses (0.6-0.9 AgGaS 2 ), wide band gaps (3.05-3.21 eV), and ease of crystal growth. Interestingly,acentimeter-sized single crystal (2.9 1.3 0.5 cm 3 )o fP b 13 O 6 Cl 9 Br 5 revealing aw ide transparent range (0.384-14.0 mm) and high laser damage threshold (LDT) (14.6 AgGaS 2 )h as been successfully grown in an open system. The study suggests that all the reported mixed oxyhalides are outstanding candidates for mid-IR NLO materials.

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Section: Introductionmentioning

confidence: 99%

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

2020

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“…[1][2][3][4][5][6] To the best of our knowledge,a ne xcellent second-order NLO material should feature al arge second harmonic generation (SHG) coefficient, ahigh relevant laserinduced damage threshold (LDT), appropriate optical transmittance range,m oderate birefringence for achieving phase matching,and good thermal stability.Inaddition, it should be free of moisture and accessible by af acile synthetic method. [7][8][9] Metal iodates currently attract extensive research interest due to their potential outstanding SHG response. [10] Up to now,several effective synthetic routes have been reported for exploring the NCS metal iodates featuring novel crystal structures and remarkable SHG performance,s uch as condensing IO 3 À and IO 4 3À units to form polyiodates, [11][12][13] combining six-or five-coordinate d 0 transition metal (TM) cations (e.g.T i 4+ ,V 5+ ,M o 6+ ,a nd Nb 5+ ) [14][15][16][17][18][19][20][21][22] or metal cations (e.g.…”

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confidence: 99%

A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions

et al. 2019

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Tw om ixed-metal gallium iodate fluorides,n amely, a-and b-Ba 2 [GaF 4 (IO 3 ) 2 ](IO 3 )(1 and 2), have been designed by the aliovalent substitutions of a-a nd b-Ba 2 [VO 2 F 2 (IO 3 ) 2 ]-(IO 3 )( 3 and 4)i nvolving one cationic and two anionic sites. Both 1 and 2 display large second-harmonic generation responses ( % 6 KH 2 PO 4 (KDP)), large energy band gaps (4.61 and 4.35 eV), wide transmittance ranges ( % 0.27-12.5 mm), and high relevant laser-induced damage thresholds (29.7 and 28.3 AgGaS 2 ,r espectively), whichi ndicates that 1 and 2 are potential second-order nonlinear optical materials in the ultraviolet to mid-infrared. Our studies propose that three-site aliovalent substitution is af acile route for the discovery of good NLO materials.Noncentrosymmetric (NCS) oxide materials have extensively excited academic interest owing to their probable properties with applications in second-order nonlinear optics (NLO) as well as in pyroelectrics,f erroelectrics,a nd piezoelectrics. [1][2][3][4][5][6] To the best of our knowledge,a ne xcellent second-order NLO material should feature al arge second harmonic generation (SHG) coefficient, ahigh relevant laserinduced damage threshold (LDT), appropriate optical transmittance range,m oderate birefringence for achieving phase matching,and good thermal stability.Inaddition, it should be free of moisture and accessible by af acile synthetic method. [7][8][9] Metal iodates currently attract extensive research interest due to their potential outstanding SHG response. [10] Up to now,several effective synthetic routes have been reported for exploring the NCS metal iodates featuring novel crystal structures and remarkable SHG performance,s uch as condensing IO 3 À and IO 4 3À units to form polyiodates, [11][12][13] combining six-or five-coordinate d 0 transition metal (TM) cations (e.g.T i 4+ ,V 5+ ,M o 6+ ,a nd Nb 5+ ) [14][15][16][17][18][19][20][21][22] or metal cations (e.g. Bi 3+ and Pb 2+ ) [23][24][25][26] having as tereochemically active lone-pair (SCALP) with iodates,a nd introducing fluoride anions into iodates. [27][28][29][30][31][32] Anumber of excellent SHG materials have been discovered, for instance,NaI 3 O 8 , [11] Cs 2 I 4 O 11 , [13] Li 2 M(IO 3 ) 6 (M = Ti 4+ ,Sn 4+ ,Ge 4+ ), [33][34][35] A(VO) 2 O 2 (IO 3 ) 3 (A = K, Rb,C s, NH 4 ), [15,20] AMoO 3 IO 3 (A = Rb,C s), [14] BaNbO-(IO 3 ) 5 , [17] BiOIO 3 , [23] PbPt(IO 3 ) 6 , [25] Bi(IO 3 )F 2 , [28] and KBi 2 -(IO 3 ) 2 F 5 , [30] which can produce very strong SHG effects (> 10 KH 2 PO 4 (KDP)).Recently,anumber of new NCS crystals were obtained by the aliovalent substitution of known parent compounds to produce materials with strong SHG response. [36][37][38][39][40][41] For example,S e IV O 3 2À has typically been used as as urrogate for I V O 3 À ,w ith substitution of the oxo anion by ah alide anion (usually fluoride anion) to maintain charge balance.T he first bismuth selenite fluoride,B iFSeO 3 ,w ith the strongest SHG performance of all metal selenites,was designed by aliovalent substitution of laye...

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“…As an outstanding IR NLO material, it should exhibit a high LDT (commonly large band gap, namely E g ≥ 3.0 eV) and large SHG responses (d ij ≥ 10 × KDP) [21,29,[31][32][33][34]. The HSE06 band gaps of the nine crystals are larger than 3.0 eV, and such results reveal that they possess high LDT (Fig.…”

Section: Optical Properties Of Atmofsmentioning

confidence: 94%

“…The main challenge is how to balance the contradiction between wide band gaps (E g ≥ 3.0 eV) and large NLO susceptibilities (d ij ≥ 10 × KH 2 PO 4 (KDP, d 36 = 0.39 pm/V)) in mid-IR materials. In order to ease this contradiction, metal chalcogenides [21,[29][30][31][32][33], metal halides [34][35][36], metal oxides [37] and metal oxyhalides [38,39] have been explored systematically by computational or experimental methodology [29][30][31][32][33][34][35][36][37][38][39][40]. Introduction of fluorine with large electronegativity into NLO materials is an excellent route for ensuring wide band gap.…”

Section: Introductionmentioning

confidence: 99%

Designing excellent mid-infrared nonlinear optical materials with fluorooxo-functional group of d0 transition metal oxyfluorides

et al. 2019

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Exploration of new infrared (IR) nonlinear optical (NLO) materials is still in urgency owing to the indispensable roles in optoelectronic devices, resource exploration, and long-distance laser communication. The formidable challenge is to balance the contradiction between wide band gaps and large second harmonic generation (SHG) effects in IR NLO materials. In the present work, we proposed new kinds of NLO active units, d 0 transition metal fluorooxofunctional groups for designing mid-IR NLO materials. By studying a series of d 0 transition metal oxyfluorides (TMOFs), the influences of fluorooxo-functional groups with different d 0 configuration cations on the band gap and SHG responses were explored. The results reveal that the fluorooxo-functional groups with different d 0 configuration cations can enlarge band gaps in mid-IR NLO materials. The first-principles calculations demonstrate that the nine alkali/alkaline earth metals d 0 TMOFs exhibit wide band gaps (all the band gaps > 3.0 eV), large birefringence Δn (> 0.07), and two W/Mo TMOFs also exhibit large SHG responses. Moreover, by comparing with other fluorooxo-functional groups, it is found that introducing fluorine into building units is an effective way to enhance optical performance. These d 0 TMOFs with superior fluorooxo-functional groups represent a new exploration family of the mid-IR region, which sheds light on the design of mid-IR NLO materials possessing large band gap.

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A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances

Cited by 214 publications

References 108 publications

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

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

A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions

Designing excellent mid-infrared nonlinear optical materials with fluorooxo-functional group of d0 transition metal oxyfluorides

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