2013
DOI: 10.1063/1.4820412
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Pressure induced variation of second harmonic efficiency of K3B6O10Cl

Abstract: K 3 B 6 O 10 Cl is a perovskite-like nonlinear optical (NLO) crystal, which exhibits large second harmonic generation (SHG) response. Based on density-functional theory, we investigate the influence of pressure on SHG tensor of K 3 B 6 O 10 Cl. At zero pressure, the non-centrosymmetric distortion of K 3 B 6 O 10 Cl from BO 4 tetrahedron results in the similar SHG tensor to b-BaB 2 O 4 (BBO). At 50 GPa, the ClK 6 octahedron distortion of K 3 B 6 O 10 Cl becomes the main source of SHG and give similar SHG tensor… Show more

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Cited by 14 publications
(3 citation statements)
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“…[15,16] Wang et al studied the influence of pressure on the SHG tensor of KBOC in 2013. [17] Han et al [18] and Gong et al [19] investigated the electronic, elastic, piezoelectric, acoustic, and the Raman spectroscopic properties based on first-principles in 2013 and 2014, respectively. The calculated thermal conductivities of KBOC at 60 • C are 2.21 W•m −1 •K −1 and 1.98 W•m −1 •K −1 along a and c axes, respectively, which is larger than that of BBO along the c axis (1.2 W•m −1 •K −1 ).…”
Section: Introductionmentioning
confidence: 99%
“…[15,16] Wang et al studied the influence of pressure on the SHG tensor of KBOC in 2013. [17] Han et al [18] and Gong et al [19] investigated the electronic, elastic, piezoelectric, acoustic, and the Raman spectroscopic properties based on first-principles in 2013 and 2014, respectively. The calculated thermal conductivities of KBOC at 60 • C are 2.21 W•m −1 •K −1 and 1.98 W•m −1 •K −1 along a and c axes, respectively, which is larger than that of BBO along the c axis (1.2 W•m −1 •K −1 ).…”
Section: Introductionmentioning
confidence: 99%
“…As Pbam-32 and P6/mmm have the inversion center symmetry, they have neither piezoelectric nor second harmonic generation response. [41,42] The calculated lattice parameters and relative energy values are listed in Table 1.…”
Section: Calculation Methodsmentioning
confidence: 99%
“…[14] The research on new NLO crystals with excellent NLO response has been enthusiastically carried out for DUV pulses generation by employing the SFG technique. Recently, using Ba 1−x B 2−y−z O 4 Si x Al y Ga z (x = 0 ∼ 0.15, y = 0 ∼ 0.01, z = 0 ∼ 0.04, x 2 + y 2 + z 2 = 0, BBSAG) crystal, DUV pulses with high repetition in a tunable range of 192.5 nm-210 nm was demonstrated by Meng et al [15] In 2015, a novel high quality NLO crystal called K 3 B 6 O 10 Cl (KBOC) with size up to 35 mm×35 mm ×11 mm was presented by Wu et al [16] Prior to this report, a series of studies on the properties of KBOC has been performed, such as the structure and NLO properties, [17] the influence of pressure on the SHG tensor [18] and the electronic, elastic, piezoelectric, acoustic, and Raman spectroscopic properties. [19,20] However, the SFG from KBOC has not been reported.…”
Section: Introductionmentioning
confidence: 99%