AB-Initio Calculations Of Second Order Optical Response Functions In Wurtzite GAN and ALN, And Their Short Period Superlattices

1997 ◽  
Vol 482 ◽  
Author(s):  
Sergey N. Rashkeev ◽  
Walter R. L. Lambrecht ◽  
B. Segall
Keyword(s):  
Band Structure ◽  
Second Harmonic Generation ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Harmonic Generation ◽  
First Principles ◽  
Second Harmonic ◽  
Response Functions ◽  
Short Period ◽  
Short Period Superlattices

AbstractSecond harmonic generation coefficients were calculated from first-principles for wurtzite GaN, AlN and the (0001) superlattices (SL) (GaN)n,(AlN)n for n = 2, 4. The effects of the LDA gap underestimate are discussed. The SLs are found to have a strongly reduced static SHG response. The frequency dependent SHG coefficients are found to be sensitive to the SL band structure and to differ significantly form a superposition of the bulk components, indicating a strong intermixing of the bands.

First-Principles Calculations of Nonlinear Optical Response Functions in Semiconductors

1999 ◽  
Vol 579 ◽  
Author(s):  
Sergey N. Rashkeev ◽  
Walter R. L. Lambrecht
Keyword(s):  
Crystal Structure ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
First Principles ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Response Functions ◽  
First Principles Calculations ◽  
Lmto Method

ABSTRACTWe present our implementation of the length-gauge formalism of Sipe and coworkers (Phys. Rev. B 48, 11705 (1993); ibid 52, 14636 (1995)) using the linearized muffin-tin orbital (LMTO) method and discuss its application to the calculation of second order response functions. The importance of gap corrections beyond LDA is discussed. As primary application, we discuss the second harmonic generation (SHG) coefficients of the SiC polytypes and of the chalcopyrites of both the II-IV-V2 and I-III-VI2 families. These examples illustrate the relation of the second order response function to the modification of the crystal structure and chemical substitutions.

scholarly journals Table-top extreme ultraviolet second harmonic generation

2021 ◽  
Vol 7 (21) ◽  
pp. eabe2265
Author(s):  
Tobias Helk ◽  
Emma Berger ◽  
Sasawat Jamnuch ◽  
Lars Hoffmann ◽  
Adeline Kabacinski ◽  
...  
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
First Principles ◽  
Extreme Ultraviolet ◽  
Second Harmonic ◽  
High Harmonic ◽  
Electronic Structure Calculations ◽  
Free Electron Lasers ◽  
X Ray ◽  
Structure Calculations

The lack of available table-top extreme ultraviolet (XUV) sources with high enough fluxes and coherence properties has limited the availability of nonlinear XUV and x-ray spectroscopies to free-electron lasers (FELs). Here, we demonstrate second harmonic generation (SHG) on a table-top XUV source by observing SHG near the Ti M2,3 edge with a high-harmonic seeded soft x-ray laser. Furthermore, this experiment represents the first SHG experiment in the XUV. First-principles electronic structure calculations suggest the surface specificity and separate the observed signal into its resonant and nonresonant contributions. The realization of XUV-SHG on a table-top source opens up more accessible opportunities for the study of element-specific dynamics in multicomponent systems where surface, interfacial, and bulk-phase asymmetries play a driving role.

scholarly journals Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body calculations

2015 ◽  
Vol 17 (14) ◽  
pp. 9533-9540 ◽  
Author(s):  
C. Attaccalite ◽  
A. Nguer ◽  
E. Cannuccia ◽  
M. Grüning
Keyword(s):  
Second Harmonic Generation ◽  
Real Time ◽  
Harmonic Generation ◽  
First Principles ◽  
Function Theory ◽  
Second Harmonic ◽  
Two Dimensional ◽  
Many Body ◽  
Ti:Sapphire Laser ◽  
Hexagonal Crystals

By using a real-time approach based on Green's function theory we predict a strong second-harmonic generation (SHG) for frequencies at which Ti:sapphire laser operates and for which the materials are transparent.

scholarly journals Significant second-harmonic generation and bulk photovoltaic effect in trigonal selenium and tellurium chains

2021 ◽  
Author(s):  
Mei-Juan Cheng ◽  
Xiao-Hong Shi ◽  
Shunqing Wu ◽  
Zizhong Zhu
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
First Principles ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Photovoltaic Effect ◽  
First Principles Calculations ◽  
Nlo Properties ◽  
One Dimensional ◽  
Linear And Nonlinear

One-dimensional (1D) selenium and tellurium crystalize in helical chainlike structures and thus exhibit fascinating properties. By performing first-principles calculations, we have researched the linear and nonlinear optical (NLO) properties of...

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