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.

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.

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

Ab initio interatomic potentials of cubic boron nitride

2003 ◽  
Vol 349 (1-2) ◽  
pp. 17-22 ◽  
Author(s):  
Ying Liu ◽  
Yanmei Kang ◽  
Nanxian Chen
Keyword(s):  
Boron Nitride ◽  
Ab Initio ◽  
Cubic Boron Nitride ◽  
Interatomic Potentials
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