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• W3135962014 abstract "Residual infrared absorption is a key problem affecting the laser emission efficiency of Ti:sapphire crystal. In this paper, the origin of residual infrared absorption of Ti:sapphire crystal is systematically studied by using the first principles method. According to the contact conditions of O octahedron in the crystal structure of <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=m1> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi>Al</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mrow> <mml:mi mathvariant=normal>O</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> , four <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=m2> <mml:mrow> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> <mml:mo>−</mml:mo> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> ion pair models and three <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=m3> <mml:mrow> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>4</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> <mml:mo>−</mml:mo> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> ion pair models were defined and constructed. For what we believe is the first time, the near-infrared absorption spectra consistent with the experimental results were obtained in specific theoretical models. The electronic structures, absorption spectra, and charge distributions calculated show that the line-contact <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=m4> <mml:mrow> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> <mml:mo>−</mml:mo> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> ion pair with antiferromagnetic coupling and the face-contact <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline id=m5> <mml:mrow> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>4</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> <mml:mo>−</mml:mo> <mml:msup> <mml:mrow> <mml:mi>Ti</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> ion pair are two main contributors to the residual infrared absorption of Ti:sapphire, while some other ion pair models provide a basis to explain more complex residual infrared absorption." @default.
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• W3135962014 date "2021-05-04" @default.
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• W3135962014 title "Theoretical study on residual infrared absorption of Ti:sapphire laser crystals" @default.
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• W3135962014 doi "https://doi.org/10.1364/prj.418395" @default.
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