TY - JOUR
T1 - Diffusion of tin in germanium: A GGA+U approach
AU - Tahini, H. A.
AU - Chroneos, Alexander
AU - Grimes, R. W.
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2011/10/18
Y1 - 2011/10/18
N2 - Density functional theory calculations are used to investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium(Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work.
AB - Density functional theory calculations are used to investigate the formation and diffusion of tin-vacancy pairs (SnV) in germanium(Ge). Depending upon the Fermi energy, SnV pairs can form in neutral, singly negative, or doubly negative charged states. The activation energies of diffusion, also as function of the Fermi energy, are calculated to lie between 2.48-3.65 eV, in agreement with and providing an interpretation of available experimental work.
UR - http://hdl.handle.net/10754/315750
UR - http://scitation.aip.org/content/aip/journal/apl/99/16/10.1063/1.3653472
UR - http://www.scopus.com/inward/record.url?scp=80155154236&partnerID=8YFLogxK
U2 - 10.1063/1.3653472
DO - 10.1063/1.3653472
M3 - Article
SN - 0003-6951
VL - 99
SP - 162103
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 16
ER -