scholarly journals First-principles study of epitaxial strain in perovskites

2005 ◽  
Vol 72 (14) ◽  
Author(s):  
Oswaldo Diéguez ◽  
Karin M. Rabe ◽  
David Vanderbilt
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Epitaxial Strain

scholarly journals First-principles study on the electric structure and ferroelectricity in epitaxial CsSnI3 films

RSC Advances ◽  
2017 ◽  
Vol 7 (65) ◽  
pp. 41077-41083 ◽  
Author(s):  
Guang Song ◽  
Benling Gao ◽  
Guannan Li ◽  
Jun Zhang
Keyword(s):  
First Principles ◽  
Inorganic Hybrid ◽  
Energy Applications ◽  
First Principles Study ◽  
Epitaxial Strain ◽  
Hybrid Perovskite ◽  
Perovskite Material ◽  
Electric Structure

Epitaxial strain can induce ferroelectricity and enhance the polarization in the inorganic hybrid perovskite material CsSnI3 for energy applications.

Properties of (001) NaNbO3 films under epitaxial strain: A first-principles study

2021 ◽  
Vol 103 (9) ◽  
Author(s):  
Kinnary Patel ◽  
Sergey Prosandeev ◽  
Bin Xu ◽  
Changsong Xu ◽  
L. Bellaiche
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Epitaxial Strain

scholarly journals Magnetic orders of LaTiO3 under epitaxial strain: A first-principles study

2014 ◽  
Vol 115 (17) ◽  
pp. 17E108 ◽  
Author(s):  
Yakui Weng ◽  
Xin Huang ◽  
Yankun Tang ◽  
Shuai Dong
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Epitaxial Strain ◽  
Magnetic Orders

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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