Prediction of optical properties of amorphous tetrahedrally bonded materials

1988 ◽  
Vol 64 (8) ◽  
pp. 4128-4134 ◽  
Author(s):  
D. Campi ◽  
C. Coriasso
1998 ◽  
Vol 7 (2-5) ◽  
pp. 472-476 ◽  
Author(s):  
B. Kleinsorge ◽  
A. Ilie ◽  
M. Chhowalla ◽  
W. Fukarek ◽  
W.I. Milne ◽  
...  

1986 ◽  
Vol 70 ◽  
Author(s):  
S. Y. Lin ◽  
G. Lucovsky ◽  
S. Guha ◽  
J. S. Payson

ABSTRACTThis paper describes a calculation of twofold-coordinated (or divalent) intrinsic bonding defects in a-SiSn:H alloy films. The motivation for this study comes from experimental studies of the electronic and optical properties of a- Si, Sn:H alloys which indicate dramatic changes in the electronic and photoelectronic properties for small concentrations of Sn (approximately 1–2 at. %). We have used a cluster Bethe lattice structural model and an empirical tight-binding Hamiltonian to investigate the electronic properties of tetrahedrally bonded Sn atoms and neutral Sn defect centers (T2o and T3o) and in an a-Si host. We find that: (C) fourfoldcoordinated Sn atoms simply promote a reduction in the optical bandgap, with the energy gap disappearing for Sn concentrations of about 20 to 30 at. %; (2) neutral dangling bonds (T2o) or threefold-coordinated Sn atoms generate a localized state in the gap that is iower in energy than the corresponding neutral Si atom dangling bond; and (3) divalent (T2o) or twofold-coordinated Sn atoms give rise to two states in the gap, an occupied state that is lower in energy that either the Sn or Si dangling bond, and an empty state that is just below the conduction band edge. We show that the electronic and optical properties of the a-SiSn:H alloys can be understood in terms of a model in which there are relatively high densities of unhydrogenated Sn divalent sites and/or Sn dangling bonds.


2019 ◽  
Vol 126 (3) ◽  
pp. 035110
Author(s):  
Jihui Nie ◽  
Sylwester Porowski ◽  
Pawel Keblinski

2015 ◽  
Vol 14 (10) ◽  
pp. 991-995 ◽  
Author(s):  
Lutz Waldecker ◽  
Timothy A. Miller ◽  
Miquel Rudé ◽  
Roman Bertoni ◽  
Johann Osmond ◽  
...  

1996 ◽  
Vol 198-200 ◽  
pp. 24-27 ◽  
Author(s):  
Kazuhiko Tsuji ◽  
Yoshinori Katayama ◽  
Hiromi Kanda ◽  
Hideyuki Nosaka

2021 ◽  
Vol 22 (16) ◽  
pp. 8419
Author(s):  
Irena Matulková ◽  
Ivana Císařová ◽  
Michaela Fridrichová ◽  
Róbert Gyepes ◽  
Petr Němec ◽  
...  

Seven inorganic salts containing N-phenylbiguanide as a prospective organic molecular carrier of nonlinear optical properties were prepared and studied within our research of novel hydrogen-bonded materials for nonlinear optics (NLO). All seven salts, namely N-phenylbiguanidium(1+) nitrate (C2/c), N-phenylbiguanidium(1+) perchlorate (P-1), N-phenylbiguanidium(1+) hydrogen carbonate (P21/c), bis(N-phenylbiguanidium(1+)) sulfate (C2), bis(N-phenylbiguanidium(1+)) hydrogen phosphate sesquihydrate (P-1), bis(N-phenylbiguanidium(1+)) phosphite (P21), and bis(N-phenylbiguanidium(1+)) phosphite dihydrate (P21/n), were characterised by X-ray diffraction (powder and single-crystal X-ray diffraction) and by vibrational spectroscopy (FTIR and Raman). Two salts with non-centrosymmetric crystal structures—bis(N-phenylbiguanidium(1+)) sulfate and bis(N-phenylbiguanidium(1+)) phosphite—were further studied to examine their linear and nonlinear optical properties using experimental and computational methods. As a highly SHG-efficient and phase-matchable material transparent down to 320 nm and thermally stable to 483 K, bis(N-phenylbiguanidium(1+)) sulfate is a promising novel candidate for NLO.


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