Mechanical and thermodynamic properties of cubic boron nitride from ab initio calculation

2017 ◽  
Vol 104 ◽  
pp. 276-280 ◽  
Author(s):  
Q. Wang ◽  
L. Chen ◽  
L. Xiong ◽  
H.R. Gong
Keyword(s):  
Boron Nitride ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Cubic Boron Nitride

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.

Thermodynamic properties of cubic boron nitride under high pressure from ab initio calculations

2007 ◽  
Vol 141 (10) ◽  
pp. 577-581 ◽  
Author(s):  
Yun-Dong Guo ◽  
Xiao-Shu Song ◽  
Xi-Bo Li ◽  
Xiang-Dong Yang
Keyword(s):  
High Pressure ◽  
Boron Nitride ◽  
Thermodynamic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Cubic Boron Nitride

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

Ab initio calculation of mechanical and thermodynamic properties of Gd2Zr2O7 pyrochlore

2020 ◽  
Vol 243 ◽  
pp. 122565
Author(s):  
Fen Luo ◽  
Bingsheng Li ◽  
Zhicheng Guo ◽  
Yi Xie ◽  
Linyan Li ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Ab Initio ◽  
Ab Initio Calculation

Ab initio studies of the cubic boron nitride (110) surface

2005 ◽  
Vol 574 (2-3) ◽  
pp. 269-286 ◽  
Author(s):  
Newton Ooi ◽  
James B. Adams
Keyword(s):  
Boron Nitride ◽  
Ab Initio ◽  
Cubic Boron Nitride
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