scholarly journals Electronic structure and optical properties of Na2KSb and NaK2Sb from first-principles many-body theory

2021 ◽  
Author(s):  
Raymond Amador ◽  
Holger-Dietrich Sassnick ◽  
Caterina Cocchi
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Many Body ◽  
Many Body Theory ◽  
Body Theory

First principles study of the structural, electronic and optical properties of crystalline o-phenanthroline

2016 ◽  
Vol 30 (14) ◽  
pp. 1650077 ◽  
Author(s):  
Hajar Nejatipour ◽  
Mehrdad Dadsetani
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Binding Energies ◽  
Many Body ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation ◽  
Independent Particle ◽  
Excitonic Effects ◽  
Comprehensive Study

In a comprehensive study, structural properties, electronic structure and optical response of crystalline o-phenanthroline were investigated. Our results show that in generalized gradient approximation (GGA) approximation, o-phenanthroline is a direct bandgap semiconductor of 2.60 eV. In the framework of many-body approach, by solving the Bethe–Salpeter equation (BSE), dielectric properties of crystalline o-phenanthroline were studied and compared with phenanthrene. Highly anisotropic components of the imaginary part of the macroscopic dielectric function in o-phenanthroline show four main excitonic features in the bandgap region. In comparison to phenanthrene, these excitons occur at lower energies. Due to smaller bond lengths originated from the polarity nature of bonds in presence of nitrogen atoms, denser packing, and therefore, a weaker screening effect, exciton binding energies in o-phenanthroline were found to be larger than those in phenanthrene. Our results showed that in comparison to the independent-particle picture, excitonic effects highly redistribute the oscillator strength.

scholarly journals Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from Ab Initio Many-Body Theory

2020 ◽  
Vol 124 (26) ◽  
pp. 14363-14370 ◽  
Author(s):  
Richard Schier ◽  
Ana M. Valencia ◽  
Caterina Cocchi
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Many Body ◽  
Many Body Theory ◽  
Body Theory ◽  
Insight Into

scholarly journals First principles many-body calculations of electronic structure and optical properties of SiC nanoribbons

2016 ◽  
Vol 49 (10) ◽  
pp. 105306 ◽  
Author(s):  
Naresh Alaal ◽  
Vaideesh Loganathan ◽  
Nikhil Medhekar ◽  
Alok Shukla
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Many Body

First-principles many-body theory for ultra-cold atoms

2010 ◽  
Author(s):  
Peter D. Drummond ◽  
Hui Hu ◽  
Xia-Ji Liu ◽  
J. G. Hartnett ◽  
P. C. Abbott
Keyword(s):  
First Principles ◽  
Cold Atoms ◽  
Many Body ◽  
Many Body Theory ◽  
Body Theory

scholarly journals Planck's Radiation Law: A Many Body Theory Perspective

1996 ◽  
Vol 49 (3) ◽  
pp. 589 ◽  
Author(s):  
PM Derlet ◽  
TC Choy
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Perturbation Theory ◽  
Interaction Mechanism ◽  
Matter Field ◽  
Many Body ◽  
Precise Nature ◽  
Many Body Theory ◽  
Planck’S Law ◽  
Body Theory

An exposition of Planck's Law of Radiation is presented within the context of modern quantum many body theory. In particular the generality of the Planck radiation law is demonstrated to be Valid to all orders of perturbation theory for an interacting system, regardless of the underlying statistics for the particles comprising the matter field and the precise nature of the interaction mechanism. This exposition justifies the use of Planck's law with minor modifications via the refractive index, in the optical properties of semiconductors and insulators. We conclude by clarifying when Planck's law is likely to fail.

Many-body theory applied to optical properties of silicon surfaces

1999 ◽  
Vol 121-122 ◽  
pp. 711
Author(s):  
C.H. Patterson ◽  
C.D. Hogan ◽  
M. Nicastro
Keyword(s):  
Optical Properties ◽  
Silicon Surfaces ◽  
Many Body ◽  
Many Body Theory ◽  
Body Theory
Sign in / Sign up

Export Citation Format

Share Document