scholarly journals Electron and hole doping in the relativistic Mott insulator Sr2IrO4 : A first-principles study using band unfolding technique

2016 ◽  
Vol 94 (19) ◽  
Author(s):  
Peitao Liu ◽  
Michele Reticcioli ◽  
Bongjae Kim ◽  
Alessandra Continenza ◽  
Georg Kresse ◽  
...  
Keyword(s):  
First Principles ◽  
Mott Insulator ◽  
Hole Doping ◽  
First Principles Study

Hole-Doping Induced Ferromagnetism in Monolayer SnO: A First-Principles Study

2017 ◽  
Vol 80 (1) ◽  
pp. 339-345 ◽  
Author(s):  
Michel Houssa ◽  
Konstantina Iordanidou ◽  
Geoffrey Pourtois ◽  
Valery V Afanas'ev ◽  
Andre Stesmans
Keyword(s):  
First Principles ◽  
Hole Doping ◽  
First Principles Study

scholarly journals First-principles study of electron and hole doping effects in perovskite nickelates

2021 ◽  
Vol 104 (3) ◽  
Author(s):  
Lucia Iglesias ◽  
Manuel Bibes ◽  
Julien Varignon
Keyword(s):  
First Principles ◽  
Hole Doping ◽  
First Principles Study ◽  
Doping Effects

scholarly journals Can the Mott Insulator TiOCl be Metallized by Doping? A First-Principles Study

2010 ◽  
Vol 104 (14) ◽  
Author(s):  
Yu-Zhong Zhang ◽  
Kateryna Foyevtsova ◽  
Harald O. Jeschke ◽  
Martin U. Schmidt ◽  
Roser Valentí
Keyword(s):  
First Principles ◽  
Mott Insulator ◽  
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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