Structural design principles for low hole effective mass s-orbital-based p-type oxides

2017 ◽  
Vol 5 (23) ◽  
pp. 5772-5779 ◽  
Author(s):  
Viet-Anh Ha ◽  
Francesco Ricci ◽  
Gian-Marco Rignanese ◽  
Geoffroy Hautier
Keyword(s):  
Effective Mass ◽  
First Principles ◽  
Structural Design ◽  
Carrier Mobility ◽  
Design Principles ◽  
Hole Effective Mass ◽  
P Type

We demonstrate through first principles computations how the metal–oxygen–metal angle directly drives the hole effective mass (thus the carrier mobility) in p-type s-orbital-based oxides.

scholarly journals Identification and design principles of low hole effective mass p-type transparent conducting oxides

2013 ◽  
Vol 4 (1) ◽  
Author(s):  
Geoffroy Hautier ◽  
Anna Miglio ◽  
Gerbrand Ceder ◽  
Gian-Marco Rignanese ◽  
Xavier Gonze
Keyword(s):  
Effective Mass ◽  
Transparent Conducting Oxides ◽  
Design Principles ◽  
Hole Effective Mass ◽  
Conducting Oxides ◽  
Transparent Conducting ◽  
P Type

Theoretical search for high-performance thermoelectric donor–acceptor copolymers: the role of super-exchange couplings

2020 ◽  
Vol 8 (41) ◽  
pp. 21852-21861
Author(s):  
Xue Yong ◽  
Gang Wu ◽  
Wen Shi ◽  
Zicong Marvin Wong ◽  
Tianqi Deng ◽  
...  
Keyword(s):  
Effective Mass ◽  
Power Factor ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Thermoelectric Power Factor ◽  
Hole Effective Mass ◽  
Donor Acceptor ◽  
Weak Electron

First-principles calculations of a series of representing D–A copolymers demonstrated the strong Super-Exchange couplings induce not only small hole effective mass but also weak electron-phonon couplings, and eventually high thermoelectric power factor.

Influence of nitrogen on hole effective mass and hole mobility in p-type modulation doped GaInNAs/GaAs quantum well structures

2013 ◽  
Vol 103 (8) ◽  
pp. 082121 ◽  
Author(s):  
F. Sarcan ◽  
O. Donmez ◽  
A. Erol ◽  
M. Gunes ◽  
M. C. Arikan ◽  
...  
Keyword(s):  
Quantum Well ◽  
Effective Mass ◽  
Hole Mobility ◽  
Hole Effective Mass ◽  
Quantum Well Structures ◽  
P Type

scholarly journals Easily doped p-type, low hole effective mass, transparent oxides

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Nasrin Sarmadian ◽  
Rolando Saniz ◽  
Bart Partoens ◽  
Dirk Lamoen
Keyword(s):  
Effective Mass ◽  
Hole Effective Mass ◽  
P Type

Theoretical prediction of intrinsic carrier mobility of monolayer C7N6: First-principles study

2021 ◽  
pp. 127340
Author(s):  
Yajing Zhang ◽  
Shuo Cao ◽  
Yanzhou Wang ◽  
Xiaodong Jian ◽  
Libin Shi ◽  
...  
Keyword(s):  
Theoretical Prediction ◽  
First Principles ◽  
Carrier Mobility ◽  
First Principles Study
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