scholarly journals Properties of multilayered and multicomponent nitride alloys from first principles

2018 ◽  
Author(s):  
Fei Wang
Keyword(s):  
First Principles ◽  
Nitride Alloys

scholarly journals Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation

2015 ◽  
Vol 17 (20) ◽  
pp. 13547-13552 ◽  
Author(s):  
Sharmila N. Shirodkar ◽  
Umesh V. Waghmare ◽  
Timothy S. Fisher ◽  
Ricardo Grau-Crespo
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Band Alignment ◽  
Band Edge ◽  
Nitride Alloys

Band alignment of 2D carbon–boron nitride alloys informs routes toward applications in photocatalysis and electronics.

scholarly journals Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles

2015 ◽  
Vol 92 (17) ◽  
Author(s):  
C. Tholander ◽  
F. Tasnádi ◽  
I. A. Abrikosov ◽  
L. Hultman ◽  
J. Birch ◽  
...  
Keyword(s):  
First Principles ◽  
Piezoelectric Response ◽  
Physical Origin ◽  
Nitride Alloys

(Invited) First-Principles Understanding of Deep-Level Defects and Impurities in GaN and Nitride Alloys

2020 ◽  
Vol MA2020-02 (26) ◽  
pp. 1822-1822
Author(s):  
JOHN L Lyons ◽  
Evan Glaser ◽  
Darshana Wickramaratne ◽  
Audrius Alkauskas ◽  
Cyrus Dreyer ◽  
...  
Keyword(s):  
First Principles ◽  
Deep Level ◽  
Defects And Impurities ◽  
Nitride Alloys

Transferability of first principles derived torsional potentials for mesogenic molecules and fragments

1998 ◽  
Vol 93 (6) ◽  
pp. 947-954 ◽  
Author(s):  
C.J. ADAM ◽  
S.J. CLARK ◽  
M.R. WILSON ◽  
G.J. ACKLAND ◽  
J. CRAIN
Keyword(s):  
First Principles ◽  
Torsional Potentials

A first-principles Hartree-Fock description of MnO at high pressures

1998 ◽  
Vol 77 (4) ◽  
pp. 1063-1075
Author(s):  
W. C. Mackrodt, E.-A. Williamson, D. W
Keyword(s):  
First Principles ◽  
High Pressures ◽  
Hartree Fock

Review of From First Principles: An Experiment on Ageing.

1997 ◽  
Vol 42 (2) ◽  
pp. 173-174
Author(s):  
Terri Gullickson
Keyword(s):  
First Principles
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