Absorption-edge calculations of inorganic nonlinear optical crystals
Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the...
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1992 |
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| Umfang: |
12 |
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| Reproduktion: |
Springer Online Journal Archives 1860-2002 |
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| Übergeordnetes Werk: |
in: Applied physics - 1973, 54(1992) vom: März, Seite 209-220 |
| Übergeordnetes Werk: |
volume:54 ; year:1992 ; month:03 ; pages:209-220 ; extent:12 |
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NLEJ203243552 |
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| 245 | 1 | 0 | |a Absorption-edge calculations of inorganic nonlinear optical crystals |
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| 520 | |a Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. | ||
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(DE-627)NLEJ203243552 DE-627 ger DE-627 rakwb eng Absorption-edge calculations of inorganic nonlinear optical crystals 1992 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. Springer Online Journal Archives 1860-2002 Wu, Kechen oth Chen, Chuangtian oth in Applied physics 1973 54(1992) vom: März, Seite 209-220 (DE-627)NLEJ188989250 (DE-600)1398311-8 1432-0630 nnns volume:54 year:1992 month:03 pages:209-220 extent:12 http://dx.doi.org/10.1007/BF00323839 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 54 1992 3 209-220 12 |
| spelling |
(DE-627)NLEJ203243552 DE-627 ger DE-627 rakwb eng Absorption-edge calculations of inorganic nonlinear optical crystals 1992 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. Springer Online Journal Archives 1860-2002 Wu, Kechen oth Chen, Chuangtian oth in Applied physics 1973 54(1992) vom: März, Seite 209-220 (DE-627)NLEJ188989250 (DE-600)1398311-8 1432-0630 nnns volume:54 year:1992 month:03 pages:209-220 extent:12 http://dx.doi.org/10.1007/BF00323839 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 54 1992 3 209-220 12 |
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(DE-627)NLEJ203243552 DE-627 ger DE-627 rakwb eng Absorption-edge calculations of inorganic nonlinear optical crystals 1992 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. Springer Online Journal Archives 1860-2002 Wu, Kechen oth Chen, Chuangtian oth in Applied physics 1973 54(1992) vom: März, Seite 209-220 (DE-627)NLEJ188989250 (DE-600)1398311-8 1432-0630 nnns volume:54 year:1992 month:03 pages:209-220 extent:12 http://dx.doi.org/10.1007/BF00323839 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 54 1992 3 209-220 12 |
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(DE-627)NLEJ203243552 DE-627 ger DE-627 rakwb eng Absorption-edge calculations of inorganic nonlinear optical crystals 1992 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. Springer Online Journal Archives 1860-2002 Wu, Kechen oth Chen, Chuangtian oth in Applied physics 1973 54(1992) vom: März, Seite 209-220 (DE-627)NLEJ188989250 (DE-600)1398311-8 1432-0630 nnns volume:54 year:1992 month:03 pages:209-220 extent:12 http://dx.doi.org/10.1007/BF00323839 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 54 1992 3 209-220 12 |
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(DE-627)NLEJ203243552 DE-627 ger DE-627 rakwb eng Absorption-edge calculations of inorganic nonlinear optical crystals 1992 12 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. Springer Online Journal Archives 1860-2002 Wu, Kechen oth Chen, Chuangtian oth in Applied physics 1973 54(1992) vom: März, Seite 209-220 (DE-627)NLEJ188989250 (DE-600)1398311-8 1432-0630 nnns volume:54 year:1992 month:03 pages:209-220 extent:12 http://dx.doi.org/10.1007/BF00323839 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 54 1992 3 209-220 12 |
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Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. |
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Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. |
| abstract_unstemmed |
Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials. |
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<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">NLEJ203243552</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20210706122310.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">070528s1992 xx |||||o 00| ||eng c</controlfield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)NLEJ203243552</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Absorption-edge calculations of inorganic nonlinear optical crystals</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">1992</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">12</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract A theoretical model suitable for calculating absorption edges of inorganic nonlinear optical (NLO) crystals is introduced. This model is proved to be useful to elucidate the relationship between electronic structures of NLO-active groups and macroscopic properties of absorption edges on the UV side of most of the inorganic nonlinear optical crystals. A systematic calculation of absorption edges on the UV side for several important inorganic NLO crystals is carried out by means of DV-SCM-Xα method and all calculated results are in good agreement with experimental data. These inorganic NLO crystals include LiB3O5(LBO), β-BaB2O4(BBO), KB5, KDP, Na2SbF5, Ba2TiSi2O8, iodate and NaNO2. The calculated energy level structures of LiB3O5 and β-BaB2O4 crystals are compared with the measured XPS spectra. The unusual transparent spectra of KB5 and KDP crystals are partly explained from the microstructure point of view. The effect of lone electron pair in iodate and NaNO2 crystals on their absorption edges are discussed. All these results show that Anionic Group Theory of Nonlinear Optical Crystals is useful to evaluate the absorption edges of the inorganic nonlinear optical crystal and is a powerful tool in a Molecular Engineering approach to search for new nonlinear optical materials.</subfield></datafield><datafield tag="533" ind1=" " ind2=" "><subfield code="f">Springer Online Journal Archives 1860-2002</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wu, Kechen</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Chen, Chuangtian</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">in</subfield><subfield code="t">Applied physics</subfield><subfield code="d">1973</subfield><subfield code="g">54(1992) vom: März, Seite 209-220</subfield><subfield code="w">(DE-627)NLEJ188989250</subfield><subfield code="w">(DE-600)1398311-8</subfield><subfield code="x">1432-0630</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:54</subfield><subfield code="g">year:1992</subfield><subfield code="g">month:03</subfield><subfield code="g">pages:209-220</subfield><subfield code="g">extent:12</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">http://dx.doi.org/10.1007/BF00323839</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">ZDB-1-SOJ</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_NL_ARTICLE</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">54</subfield><subfield code="j">1992</subfield><subfield code="c">3</subfield><subfield code="h">209-220</subfield><subfield code="g">12</subfield></datafield></record></collection>
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