Multiscale Computational Model of Nitride Semiconductor Nanostructures
2012 ◽
Vol 560-561
◽
pp. 1133-1137
Keyword(s):
Theoretical multiscale model of nitride semiconductor nanostructure is proposed. The model combines various computational methods such as density functional theory, molecular dynamics and kinetic Monte Carlo. As a first step of implementation of proposed approach ab initio calculations of structural and electronic properties of two different structures InN/Si and AlN/AlGaN/GaN heterostructures were carried out. In particular, the influence of oxygen on InN/Si adhesion energy was studied. AlN, GaN, AlxGa1-xN (x=0.33) spontaneous and piezoelectric polarizations as well as sheet carrier concentrations at GaN/AlGaN interface were calculated. Obtained value for sheet carrier concentration at GaN/AlGaN interface is close to experimental data.
2014 ◽
Vol 03
(04)
◽
pp. 1450019
◽
2021 ◽
Vol 1951
(1)
◽
pp. 012010
2021 ◽
Vol 128
◽
pp. 114619
1998 ◽
Vol 109
(16)
◽
pp. 6626-6630
◽
2006 ◽
Vol 62
(6)
◽
pp. 1025-1030
◽
2013 ◽
Vol 321-324
◽
pp. 495-498
◽
2019 ◽
Vol 18
◽
pp. e00354
◽
2018 ◽
Vol 338
◽
pp. 012041