TY - JOUR
T1 - Band-Gap Design of Quaternary (In,Ga) (As,Sb) Semiconductors via the Inverse-Band-Structure Approach
AU - Piquini, Paulo
AU - Graf, Peter A.
AU - Zunger, Alex
PY - 2008/5/5
Y1 - 2008/5/5
N2 - Quaternary systems illustrated by (Ga,In)(As,Sb) manifest a huge configurational space, offering in principle the possibility of designing structures that are lattice matched to a given substrate and have given electronic properties (e.g., band gap) at more than one composition. Such specific configurations were however, hitherto, unidentified. We show here that using a genetic-algorithm search with a pseudopotential "Inverse-band- structure (IBS) approach it is possible to identify those configurations that are naturally lattice matching (to GaSb) and have a specific band gap (310 meV) at more than one composition. This is done by deviating from randomness, allowing the IBS to find a partial atomic ordering. This illustrates multitarget design of the electronic structure of multinary systems.
AB - Quaternary systems illustrated by (Ga,In)(As,Sb) manifest a huge configurational space, offering in principle the possibility of designing structures that are lattice matched to a given substrate and have given electronic properties (e.g., band gap) at more than one composition. Such specific configurations were however, hitherto, unidentified. We show here that using a genetic-algorithm search with a pseudopotential "Inverse-band- structure (IBS) approach it is possible to identify those configurations that are naturally lattice matching (to GaSb) and have a specific band gap (310 meV) at more than one composition. This is done by deviating from randomness, allowing the IBS to find a partial atomic ordering. This illustrates multitarget design of the electronic structure of multinary systems.
UR - http://www.scopus.com/inward/record.url?scp=43249105247&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.100.186403
DO - 10.1103/PhysRevLett.100.186403
M3 - Article
AN - SCOPUS:43249105247
SN - 0031-9007
VL - 100
JO - Physical Review Letters
JF - Physical Review Letters
IS - 18
M1 - Article No. 186403
ER -