Theoretical approach to structural stability of GaN: How to grow cubic GaN

Recent Progress in Computational Materials Science for Semiconductor Epitaxial Growth

“…Large gray and small yellow circles represent In and P atoms, respectively. Reprinted with permission from [100]. Copyright (2013) by Elsevier.…”

“…The MC calculations indeed demonstrate that the difference in growth rate between (1100) and (1120) surfaces can be realized depending on the growth conditions. It is considered that facets with higher growth rate disappear and those with lower growth rate remain [100]. Thus, the lower growth rate of (1120) surface results in the formation of InP NWs consisting of {1120} no side facets for lower temperatures.…”

Ab initio-Based Approach to Crystal Growth

“…I I is written as 11.9) where m I is the reduced mass and r is the radius of gyration. The detailed procedure in the total energy calculations has been reported elsewhere [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30]. In the total energy calculations for the compound semiconductor surfaces with various atomic arrangements, we used the ab initio pseudopotential method based on the local-density functional formalism [9] within the generalized gradient approximation [10].…”

“…Generally, blue light-emitting diodes (LEDs) and laser diodes (LDs) using III-nitrides are fabricated on the (0001)-polar surface. Since the demonstration of InGaN/GaN LEDs on semipolar (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) bulk GaN [94,95], the (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) plane has been the most promising among the semipolar orientations. This is because there are large internal piezoelectric fields in the III-nitride layers grown on the (0001) heterosubstrates.…”

“…Recently, III-nitrides growth on nonpolar and semipolar surfaces has attracted increasing attention. Unlike the conventional GaN growth along the [0001] direction, lower temperatures (870-975 C) are found to be required to obtain atomically flat (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) surfaces in MOVPE [7] and hydride vapor-phase epitaxy [95]. The large internal piezoelectric fields separate electrons and holes to opposite interfaces of the layer.…”