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Impurity vibration modes in II–VI and III–V mixed semiconductors
Author(s) -
Postnikov Andrei,
Pagès Olivier,
Souhabi Jihane,
Nassour Ayoub,
Hugel Joseph
Publication year - 2009
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200881217
Subject(s) - impurity , semiconductor , vibration , siesta (computer program) , lattice (music) , normal mode , molecular vibration , lattice vibration , atom (system on chip) , materials science , condensed matter physics , mode (computer interface) , phonon , physics , ab initio quantum chemistry methods , quantum mechanics , engineering , optoelectronics , molecule , computer science , acoustics , embedded system , operating system
The analysis of vibration frequencies in dilute semiconducting alloys is addressed, as part of a more vast paradigm for the description of lattice dynamics in semiconductor alloys within the “1 bond – 2 mode” concept. Specific cases considered are those of Be impurities in ZnSe (system with high elastic contrast; aspects of impurity clustering) and of (Ga,In)As alloys, exhibiting much smaller elastic contrast and almost vanishing value of the mode splitting parameter, Δ . First‐principles calculations of frequencies are done by Siesta method, using 64‐atom supercells. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)