A first principles quantum mechanical approach is used to investigate the structural, elastic, vibrational and thermodynamic properties of the hexagonal boron nitride (h-BN) in the framework of the pseudopotential plane wave density-functional perturbation theory for the two popular exchangecorrelat
β¦ LIBER β¦
Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA
β Scribed by Narasimhan, Shobhana; de Gironcoli, Stefano
- Book ID
- 120028625
- Publisher
- The American Physical Society
- Year
- 2002
- Tongue
- English
- Weight
- 96 KB
- Volume
- 65
- Category
- Article
- ISSN
- 1098-0121
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio study of the structural, elast
β
Ilyes Hamdi; Noureddine Meskini
π
Article
π
2010
π
Elsevier Science
π
English
β 813 KB
Ab initio thermodynamics and phase diagr
β
Mehta, S.; Price, G. D.; AlfeΜ, D.
π
Article
π
2006
π
American Institute of Physics
π
English
β 433 KB
Ab initio calculations of thermal radiat
β
Hua Bao; Xiulin Ruan
π
Article
π
2010
π
Elsevier Science
π
English
β 276 KB
Spectral reflectance of GaAs from infrared (IR) to ultra-violet (UV) bands is predicted using ab initio calculations. We first predict the spectral dielectric function. Two major mechanisms exist for different photon wavelength, namely, photon-electron coupling in the UV to near-IR region and photon
Ab initio calculation of mechanical and
β
Jaroszewicz, S.; Losada, E.L.; GarcΓ©s, J.E.; Mosca, H.O.
π
Article
π
2013
π
Elsevier Science
π
English
β 599 KB
Ab initio calculation of the local geome
β
LuanΜa, ViΜctor; FloΜrez, Manuel
π
Article
π
1992
π
American Institute of Physics
π
English
β 688 KB
Ab-Initio Calculation of the Optical Pro
β
Onida, G. ;Del Sole, R. ;Palummo, M. ;Pulci, O. ;Reining, L.
π
Article
π
1998
π
John Wiley and Sons
π
English
β 252 KB
π 2 views