Band offsets and dielectric properties of the amorphous Si3N4/Si(100) interface: A first-principles study

2013 ◽  
Vol 102 (24) ◽  
pp. 241603 ◽  
Author(s):  
T. Anh Pham ◽  
Tianshu Li ◽  
Huy-Viet Nguyen ◽  
Sadasivan Shankar ◽  
Francois Gygi ◽  
...  
Keyword(s):  
Dielectric Properties ◽  
First Principles ◽  
Band Offsets ◽  
First Principles Study ◽  
Amorphous Si3n4

First-principles study of dielectric properties of cerium oxide

2005 ◽  
Vol 486 (1-2) ◽  
pp. 136-140 ◽  
Author(s):  
Takenori Yamamoto ◽  
Hiroyoshi Momida ◽  
Tomoyuki Hamada ◽  
Tsuyoshi Uda ◽  
Takahisa Ohno
Keyword(s):  
Dielectric Properties ◽  
Cerium Oxide ◽  
First Principles ◽  
First Principles Study

First-principles Study of Electronic and Dielectric Properties of Polyoxymethylene

2011 ◽  
Author(s):  
H. R. Sreepad ◽  
K. P. S. S. Hembram ◽  
Umesh V. Waghmare ◽  
Alka B. Garg ◽  
R. Mittal ◽  
...  
Keyword(s):  
Dielectric Properties ◽  
First Principles ◽  
First Principles Study

Effect of cation vacancies on the optical and dielectric properties of KSr 2 Nb 5 O 15 : A first‐principles study

2019 ◽  
Vol 103 (3) ◽  
pp. 1912-1926
Author(s):  
Qian Chen ◽  
Feng Gao ◽  
Jie Xu ◽  
Changying Wu ◽  
Shuyao Cao ◽  
...  
Keyword(s):  
Dielectric Properties ◽  
First Principles ◽  
Cation Vacancies ◽  
First Principles Study ◽  
O 15

Lattice dynamics and dielectric properties ofTiO2anatase: A first-principles study

2002 ◽  
Vol 66 (15) ◽  
Author(s):  
Masayoshi Mikami ◽  
Shinichiro Nakamura ◽  
Osamu Kitao ◽  
Hironori Arakawa
Keyword(s):  
Dielectric Properties ◽  
First Principles ◽  
Lattice Dynamics ◽  
First Principles Study

Effects of Substrate Orientation on the Valence Band Splittings and Valence Band Offsets in GaN and AlN Films

1997 ◽  
Vol 482 ◽  
Author(s):  
J. A. Majewski ◽  
M. Städele
Keyword(s):  
Valence Band ◽  
Conduction Band ◽  
First Principles ◽  
Stacking Fault ◽  
Type I ◽  
Band Offsets ◽  
Substrate Orientation ◽  
First Principles Study

AbstractWe present a first-principles study of heteroepitaxial interfaces between GaN and both cubic as well as wurtzite AlN substrates oriented along main cubic or hexagonal directions and of stacking fault interfaces between cubic and wurtzite GaN. Our calculations show that all studied heterostructures are of type I. Valence band offsets for GaN/AlN are nearly independent of the substrate orientation and of the order of 0.8 eV. The valence and conduction band offsets for a stacking fault interface are predicted to be 40 meV and 175 meV, respectively.

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