A Quantum Mechanical Investigation of Positively Charged Defects In SiO2 Thin Film Devices

1996 ◽  
Vol 446 ◽  
Author(s):  
Antonio M. Ferreira ◽  
Shashi P. Kama ◽  
Charles P. Brothers ◽  
Robert D. Pugh ◽  
Babu B. K. Singaraju ◽  
...  
Keyword(s):  
Thin Film ◽  
Quantum Mechanical ◽  
Hartree Fock ◽  
Sio2 Thin Film ◽  
Mechanical Investigation ◽  
Moller Plesset ◽  
The Stability ◽  
Charged Defects ◽  
Positively Charged ◽  
Thin Film Devices

AbstractAb initio Hartree-Fock and second-order Möller-Plesset theory calculations have been performed to investigate the stability of triply-coordinated 0+ centers in the Si-O-Si network of amorphous SiO2. The calculations reveal that the H+ ion binds with a bridging O center to form a very stable (De > 6 eV) trivalent O complex. Capture of an electron by the positively charged protonated complex, however, is predicted to immediately lead to the dissociation of the O-H bond. A relatively weaker, but stable bond is also formed between the bridging O atom and a +SiH3 ion.

N2 positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties

2020 ◽  
Vol 8 (15) ◽  
pp. 5239-5247 ◽  
Author(s):  
Giulio Di Palma ◽  
Francesco Silvio Gentile ◽  
Valentina Lacivita ◽  
William C. Mackrodt ◽  
Mauro Causà ◽  
...  
Keyword(s):  
Ab Initio ◽  
Quantum Mechanical ◽  
Vibrational Properties ◽  
Quantum Mechanical Calculations ◽  
Mechanical Investigation ◽  
Crystal Code ◽  
Charged Defects ◽  
Positively Charged ◽  
Vibrational Characterization

Structural, EPR and vibrational characterization of the N2, N+2 and N++2 defects in diamond from ab initio quantum-mechanical calculations with the CRYSTAL code.

Galvanomagnetic thin film devices

1967 ◽  
Vol 34 (2) ◽  
pp. 97 ◽  
Author(s):  
H. Freller ◽  
K.G. Günther
Keyword(s):  
Thin Film ◽  
Thin Film Devices

scholarly journals Quantum-mechanical hydration plays critical role in the stability of firefly oxyluciferin isomers: State-of-the-art calculations of the excited states

2020 ◽  
Vol 153 (20) ◽  
pp. 201103
Author(s):  
Yoshifumi Noguchi ◽  
Miyabi Hiyama ◽  
Motoyuki Shiga ◽  
Hidefumi Akiyama ◽  
Osamu Sugino
Keyword(s):  
Excited States ◽  
State Of The Art ◽  
Critical Role ◽  
Quantum Mechanical ◽  
The Stability

scholarly journals Experimental Study on the Thickness-Dependent Hardness of SiO2 Thin Films Using Nanoindentation

Coatings ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 23
Author(s):  
Weiguang Zhang ◽  
Jijun Li ◽  
Yongming Xing ◽  
Xiaomeng Nie ◽  
Fengchao Lang ◽  
...  
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Grain Size ◽  
Integrated Circuits ◽  
Film Thickness ◽  
Depth Range ◽  
Micro Electro Mechanical Systems ◽  
Si Substrates ◽  
Sio2 Thin Film ◽  
Average Grain Size

SiO2 thin films are widely used in micro-electro-mechanical systems, integrated circuits and optical thin film devices. Tremendous efforts have been devoted to studying the preparation technology and optical properties of SiO2 thin films, but little attention has been paid to their mechanical properties. Herein, the surface morphology of the 500-nm-thick, 1000-nm-thick and 2000-nm-thick SiO2 thin films on the Si substrates was observed by atomic force microscopy. The hardnesses of the three SiO2 thin films with different thicknesses were investigated by nanoindentation technique, and the dependence of the hardness of the SiO2 thin film with its thickness was analyzed. The results showed that the average grain size of SiO2 thin film increased with increasing film thickness. For the three SiO2 thin films with different thicknesses, the same relative penetration depth range of ~0.4–0.5 existed, above which the intrinsic hardness without substrate influence can be determined. The average intrinsic hardness of the SiO2 thin film decreased with the increasing film thickness and average grain size, which showed the similar trend with the Hall-Petch type relationship.

scholarly journals Enabling bifacial thin film devices by developing a back surface field using CuxAlOy

Nano Energy ◽  
2021 ◽  
Vol 83 ◽  
pp. 105827
Author(s):  
Kamala Khanal Subedi ◽  
Adam B. Phillips ◽  
Niraj Shrestha ◽  
Fadhil K. Alfadhili ◽  
Anna Osella ◽  
...  
Keyword(s):  
Thin Film ◽  
Back Surface ◽  
Back Surface Field ◽  
Surface Field ◽  
Thin Film Devices

Transparent piezoelectric thin-film devices: Pb(Zr, Ti)O3 thin films on glass substrates

2021 ◽  
Vol 327 ◽  
pp. 112786
Author(s):  
Kazuki Ueda ◽  
Sang-Hyo Kweon ◽  
Hirotaka Hida ◽  
Yoshiharu Mukouyama ◽  
Isaku Kanno
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Glass Substrates ◽  
Piezoelectric Thin Film ◽  
Thin Film Devices
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