Lithium niobate-tantalate mixed crystals electronic and optical properties calculated from first principles

被引：0
|
作者：
Riefer, A. [1 ]
Sanna, S. [1 ]
Schmidt, W. G. [1 ]
机构：
[1] Univ Gesamthsch Paderborn, Lehrstuhl Theoret Phys, D-33098 Paderborn, Germany
来源：
2012 INTERNATIONAL SYMPOSIUM ON APPLICATIONS OF FERROELECTRICS HELD JOINTLY WITH 11TH IEEE ECAPD AND IEEE PFM (ISAF/ECAPD/PFM) | 2012年
关键词：
LNT; LiNbO3; LiTaO3; birefringence; BSE; GWA; SPECTRUM; ENERGY; INSULATORS; GAPS;
D O I：
暂无
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The electronic and optical properties of the mixed-crystal system lithium niobate-tantalate has been calculated from first principles. Based on density functional theory we calculate the electronic properties including quasiparticle effects within the GW approach. The optical response including electron-hole attraction effects is obtained from the solution of the Bethe-Salpeter equation. While the band gap increase with increasing tantalum content and shows some bowing, a nearly linear dependence of the optical birefringence on the stochiometry is calculated.
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页数：3
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