Experimental and first-principles study of the structure and dielectric response of the high-temperature quantum paraelectricLa1∕2Na1∕2TiO3

2007 ◽  
Vol 75 (17) ◽  
Author(s):  
Grégory Geneste ◽  
Jean-Michel Kiat ◽  
Charlotte Malibert ◽  
Julienne Chaigneau
Keyword(s):  
High Temperature ◽  
First Principles ◽  
Dielectric Response ◽  
First Principles Study

scholarly journals First-principles study of the structure and lattice dielectric response ofCaCu3Ti4O12

2002 ◽  
Vol 65 (21) ◽  
Author(s):  
Lixin He ◽  
J. B. Neaton ◽  
Morrel H. Cohen ◽  
David Vanderbilt ◽  
C. C. Homes
Keyword(s):  
First Principles ◽  
Dielectric Response ◽  
First Principles Study

Effects of Zr and Ti doping on the dielectric response of : A comparative first-principles study

2010 ◽  
Vol 150 (41-42) ◽  
pp. 2020-2022 ◽  
Author(s):  
Gargi Dutta ◽  
Srijan Kumar Saha ◽  
Umesh V. Waghmare
Keyword(s):  
First Principles ◽  
Dielectric Response ◽  
First Principles Study ◽  
Ti Doping

First-Principles Study of the Adsorption and Depolymerization Mechanisms of Sodium Silicate on Iron Surfaces at High Temperature

2018 ◽  
Vol 122 (36) ◽  
pp. 20827-20840 ◽  
Author(s):  
Nam V. Tran ◽  
A. Kiet Tieu ◽  
Hongtao Zhu ◽  
Huong T. T. Ta ◽  
Thi D. Ta ◽  
...  
Keyword(s):  
High Temperature ◽  
Sodium Silicate ◽  
First Principles ◽  
First Principles Study

High-temperature shape memory loss in nitinol: a first principles study

2019 ◽  
Vol 21 (14) ◽  
pp. 7508-7517 ◽  
Author(s):  
Adebayo A. Adeleke ◽  
Yansun Yao
Keyword(s):  
High Temperature ◽  
Shape Memory ◽  
First Principles ◽  
Memory Loss ◽  
First Principles Study

Smart alloy, NiTi, is predicted to lose its shape memory when deformed at 10 GPa and heated above 700 K.

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