Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase

CrystEngComm ◽  
2018 ◽  
Vol 20 (46) ◽  
pp. 7479-7485
Author(s):  
D. Clavier ◽  
P. Hermet ◽  
A. Van der Lee ◽  
J. Haines ◽  
O. Cambon
Keyword(s):  
Crystal Growth ◽  
First Principles ◽  
Piezoelectric Properties ◽  
Piezoelectric Constant ◽  
First Principles Calculations ◽  
Hydrothermal Crystal Growth

First principles calculations of the α-quartz phase of Si1−xSnxO2 predict great benefits of the substitution of Si by Sn with d11 piezoelectric constant. Moreover, the substitution with Sn atoms is more efficient than with Ge atoms.

Crystal Growth and First-Principles Calculations of the Mid-IR Laser Crystal Dy3+:PbGa2S4

2020 ◽  
Vol 20 (2) ◽  
pp. 845-850
Author(s):  
Changbao Huang ◽  
Youbao Ni ◽  
Haixin Wu ◽  
Zhenyou Wang ◽  
Pengfei Jiang ◽  
...  
Keyword(s):  
Crystal Growth ◽  
First Principles ◽  
Laser Crystal ◽  
First Principles Calculations ◽  
Ir Laser

Energetics and kinetics of Cu atoms and clusters on the Si(111)-7 × 7 surface: first-principles calculations

2016 ◽  
Vol 18 (27) ◽  
pp. 18549-18554 ◽  
Author(s):  
Xiao-Yan Ren ◽  
Chun-Yao Niu ◽  
Wei-Guang Chen ◽  
Ming-Sheng Tang ◽  
Jun-Hyung Cho
Keyword(s):  
Thin Film ◽  
Crystal Growth ◽  
First Principles ◽  
Self Assembly ◽  
Catalytic Reactions ◽  
Semiconductor Surface ◽  
First Principles Calculations ◽  
Metal Atoms ◽  
Thin Film Epitaxy ◽  
Kinetics Of

Exploring the properties of noble metal atoms and nano- or subnano-clusters on the semiconductor surface is of great importance in many surface catalytic reactions, self-assembly processes, crystal growth, and thin film epitaxy.

scholarly journals Crystal Growth Prediction by First-Principles Calculations for Epitaxial Piezoelectric Thin Films

2009 ◽  
Vol 3 (1) ◽  
pp. 264-274 ◽  
Author(s):  
Hwisim HWANG ◽  
Yasutomo UETSUJI ◽  
Sei-ichiro SAKATA ◽  
Kazuyoshi TSUCHIYA ◽  
Eiji NAKAMACHI
Keyword(s):  
Thin Films ◽  
Crystal Growth ◽  
First Principles ◽  
First Principles Calculations ◽  
Growth Prediction ◽  
Piezoelectric Thin Films

scholarly journals Crystal Growth Prediction by First-Principles Calculations for Epitaxial Piezoelectric Thin Films

2008 ◽  
Vol 74 (741) ◽  
pp. 763-769 ◽  
Author(s):  
Yasutomo UETSUJI ◽  
Fishim HWANG ◽  
Sei-ichiro SAKATA ◽  
Kazuyoshi TSUCHIYA ◽  
Eiji NAKAMACHI
Keyword(s):  
Thin Films ◽  
Crystal Growth ◽  
First Principles ◽  
First Principles Calculations ◽  
Growth Prediction ◽  
Piezoelectric Thin Films

Piezoelectric Properties of AlN, ZnO, and HgxZn1−xO Nanowires by First-Principles Calculations

2009 ◽  
Vol 113 (17) ◽  
pp. 6883-6886 ◽  
Author(s):  
Alexander Mitrushchenkov ◽  
Roberto Linguerri ◽  
Gilberte Chambaud
Keyword(s):  
First Principles ◽  
Piezoelectric Properties ◽  
First Principles Calculations

Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers

2019 ◽  
Vol 7 (42) ◽  
pp. 13203-13210 ◽  
Author(s):  
Xiaoli Zhang ◽  
Yu Cui ◽  
Liping Sun ◽  
Mengyuan Li ◽  
Jinyan Du ◽  
...  
Keyword(s):  
First Principles ◽  
Piezoelectric Properties ◽  
Two Dimensional ◽  
First Principles Calculations

First-principles calculations were performed to investigate the stabilities, and electronic and piezoelectric properties of Janus SnXY monolayers (X = O, S, Se, Te; Y = O, S, Se, Te; X ≠ Y).

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption
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