Structural, Electrical, and Electromechanical Properties of Inverse Hybrid Perovskites from First-Principles: The Case of (CH3NH3)3OI

2021 ◽  
Author(s):  
Maggie Kingsland ◽  
P. S. Ghosh ◽  
S. Lisenkov ◽  
I. Ponomareva
Keyword(s):  
First Principles ◽  
Electromechanical Properties

scholarly journals Electromechanical Properties of Ba(1–x)SrxTiO3 Perovskite Solid Solutions from First-Principles Calculations

2017 ◽  
Vol 121 (49) ◽  
pp. 9409-9414 ◽  
Author(s):  
Leonid L. Rusevich ◽  
Guntars Zvejnieks ◽  
Alessandro Erba ◽  
Roberto Dovesi ◽  
Eugene A. Kotomin
Keyword(s):  
Solid Solutions ◽  
First Principles ◽  
First Principles Calculations ◽  
Electromechanical Properties

Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O3 (Me = Zn, Mg, Ni, Co)

2016 ◽  
Vol 45 (36) ◽  
pp. 14141-14153 ◽  
Author(s):  
Wangfeng Bai ◽  
Bo Shen ◽  
Jiwei Zhai ◽  
Feng Liu ◽  
Peng Li ◽  
...  
Keyword(s):  
First Principles ◽  
Large Strain ◽  
Ternary Systems ◽  
Phase Evolution ◽  
Tolerance Factor ◽  
Strain Response ◽  
Electromechanical Properties ◽  
First Principles Method

The structure of Bi(Me0.5Ti0.5)O3 was calculated by a first-principles method and ternary systems BNT-BT-Bi(Me0.5Ti0.5)O3 were designed to achieved a large strain response.

Characterization of RF Sputtered ZnO Piezoelectric Films Using Transmission Electron Microscope

1975 ◽  
Vol 33 ◽  
pp. 86-87
Author(s):  
Kemining W. Yeh ◽  
Richard S. Muller ◽  
Wei-Kuo Wu ◽  
Jack Washburn
Keyword(s):  
Integrated Circuit ◽  
Acoustic Waves ◽  
New Technology ◽  
Surface Acoustic Waves ◽  
Electromechanical Properties ◽  
Leading Role ◽  
Saw Devices ◽  
Transmission Electron ◽  
High Degree

Considerable and continuing interest has been shown in the thin film transducer fabrication for surface acoustic waves (SAW) in the past few years. Due to the high degree of miniaturization, compatibility with silicon integrated circuit technology, simplicity and ease of design, this new technology has played an important role in the design of new devices for communications and signal processing. Among the commonly used piezoelectric thin films, ZnO generally yields superior electromechanical properties and is expected to play a leading role in the development of SAW devices.

Transferability of first principles derived torsional potentials for mesogenic molecules and fragments

1998 ◽  
Vol 93 (6) ◽  
pp. 947-954 ◽  
Author(s):  
C.J. ADAM ◽  
S.J. CLARK ◽  
M.R. WILSON ◽  
G.J. ACKLAND ◽  
J. CRAIN
Keyword(s):  
First Principles ◽  
Torsional Potentials

A first-principles Hartree-Fock description of MnO at high pressures

1998 ◽  
Vol 77 (4) ◽  
pp. 1063-1075
Author(s):  
W. C. Mackrodt, E.-A. Williamson, D. W
Keyword(s):  
First Principles ◽  
High Pressures ◽  
Hartree Fock

Review of From First Principles: An Experiment on Ageing.

1997 ◽  
Vol 42 (2) ◽  
pp. 173-174
Author(s):  
Terri Gullickson
Keyword(s):  
First Principles
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