Nonlocal Polarizabilities and the AB Initio Calculation of Surface Optical Properties of Gaas (110)

1999 ◽  
Vol 579 ◽  
Author(s):  
C.M.J. Wijers ◽  
P.L. De Boeij
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Quantum Mechanical ◽  
Reflectance Anisotropy ◽  
Surface Optical ◽  
Cellular Method ◽  
Theory And Experiment ◽  
Good Agreement

ABSTRACTWe have calculated the reflectance anisotropy for the GaAs (110) surface using the discrete cellular method. This method extends the range of application of standard discrete dipole calculations by incorporating nonlocal polarizabilitites. The method adds a second quantum mechanical channel of nonlocality, which turns out to be necessary and yields very good agreement between theory and experiment.

AB-Initio Calculation of the optical Properties of BN(110) Surface.

2001 ◽  
Vol 677 ◽  
Author(s):  
Giancarlo Cappellini ◽  
Guido Satta ◽  
Maurizia Palummo ◽  
Giovanni Onida
Keyword(s):  
Optical Properties ◽  
Boron Nitride ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Cubic Boron Nitride ◽  
Surface States ◽  
Surface Relaxation ◽  
Reflectance Anisotropy ◽  
Surface Optical ◽  
Existing Data

ABSTRACTWe study the optical properties of the nonpolar (110) surface of cubic Boron Nitride calculated within the first-pinciple DFT-LDA scheme. The reflectance anisotropy (RA) spectrum is analyzed in relation to the better known spectrum of the GaAs(110) surface. The influence of the ionicity on the surface relaxation, the surface states character and the surface optical spectra, is studied. Comparisons with existing data for the surface under study and results to the GaN(110) surface are also given.

Optical properties of B12P2 crystals: Ab initio calculation and EELS

2018 ◽  
Vol 116 ◽  
pp. 331-337
Author(s):  
V.V. Reshetniak ◽  
B.N. Mavrin ◽  
V.V. Medvedev ◽  
I.A. Perezhogin ◽  
B.A. Kulnitskiy
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation

Zinc-Blende MnTe Under Pressure: Structural, Mechanical, and Optical Properties from Ab Initio Calculation

2016 ◽  
Vol 30 (6) ◽  
pp. 1533-1538 ◽  
Author(s):  
Abdelghani Khaldi ◽  
Hatem Ghodbane ◽  
Nadir Bouarissa ◽  
Saleh Daoud ◽  
Zahir Rouabah ◽  
...  
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Zinc Blende

Ab-initio calculation of nonlinear optical properties of GaAs

1991 ◽  
Vol 85 (5-6) ◽  
pp. 437-442 ◽  
Author(s):  
Hong-ru Ma ◽  
S.T. Chui ◽  
R.V. Kasowski ◽  
William Y. Hsu
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties

scholarly journals BREMSSTRAHLUNG EMISSION DURING α-DECAY OF 226Ra

2008 ◽  
Vol 23 (31) ◽  
pp. 2651-2663 ◽  
Author(s):  
GIORGIO GIARDINA ◽  
GIOVANNI FAZIO ◽  
GIUSEPPE MANDAGLIO ◽  
MARINA MANGANARO ◽  
SERGHEI P. MAYDANYUK ◽  
...  
Keyword(s):  
Quantum Mechanical Calculation ◽  
Bremsstrahlung Spectrum ◽  
Quantum Mechanical ◽  
Destructive Interference ◽  
Α Decay ◽  
Mechanical Calculation ◽  
Bremsstrahlung Emission ◽  
Photon Spectra ◽  
Theory And Experiment ◽  
Good Agreement

We obtained the spectrum of probability of the bremsstrahlung emission accompanying the α-decay of 226 Ra (Eα = 4.8 MeV ) by measuring the α-γ coincidences and using the model presented in our previous study on the α-decay of 214 Po (Eα = 7.7 MeV ). We compare the experimental data with the quantum mechanical calculation and find a good agreement between theory and experiment. We discuss the differences between the photon spectra connected with the α-decay of the 226 Ra and 214 Po nuclei. For the two mentioned nuclei, we analyze the bremsstrahlung emission contributions from the tunneling and external regions of the nucleus barrier into the total spectrum, and we find the destructive interference between these contributions. We also find that the emission of photons during tunneling of the α-particle gives an important contribution to the bremsstrahlung spectrum in the whole Eγ energy range of the studied 226 Ra nucleus.

scholarly journals Mechanical, electronic, and optical properties of the A4 B6 layered ferroelectrics: ab initio calculation

2015 ◽  
Vol 12 (6) ◽  
pp. 651-658 ◽  
Author(s):  
Husnu Koc ◽  
Sevket Simsek ◽  
Selami Palaz ◽  
Oral Oltulu ◽  
Amirullah M. Mamedov ◽  
...  
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Electronic And Optical Properties
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