First-principles study of MgB2 film on the MgO(111) polar surface

2008 ◽  
Vol 372 (10) ◽  
pp. 1671-1675 ◽  
Author(s):  
Z.H. Zhu ◽  
X.H. Yan ◽  
Z.H. Guo ◽  
Y.R. Yang
Keyword(s):  
First Principles ◽  
Polar Surface ◽  
Mgb2 Film ◽  
First Principles Study

Adsorption and magnetism of bilayer graphene on the MnO polar surface with oxygen vacancies in the interface: First principles study

2018 ◽  
Vol 117 ◽  
pp. 72-81 ◽  
Author(s):  
Victor V. Ilyasov ◽  
Igor V. Ershov ◽  
Inna G. Popova ◽  
Khang D. Pham ◽  
Chuong V. Nguyen
Keyword(s):  
First Principles ◽  
Oxygen Vacancies ◽  
Bilayer Graphene ◽  
Polar Surface ◽  
First Principles Study

Energetics of oxygen adsorption and incorporation at InN polar surface: A first-principles study

2009 ◽  
Vol 6 (S2) ◽  
pp. S364-S367 ◽  
Author(s):  
A. Belabbes ◽  
J. Kioseoglou ◽  
Ph. Komninou ◽  
Th. Karakostas
Keyword(s):  
First Principles ◽  
Oxygen Adsorption ◽  
Polar Surface ◽  
First Principles Study

First-principles study of the (110) polar surface of cubic PbTiO3

2009 ◽  
Vol 44 (4) ◽  
pp. 1360-1365 ◽  
Author(s):  
Jian-Min Zhang ◽  
Qing Pang ◽  
Ke-Wei Xu ◽  
Vincent Ji
Keyword(s):  
First Principles ◽  
Polar Surface ◽  
First Principles Study

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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