First-Principles Energy Band Calculation for ZnSb2O6with Trirutile-Type Structure

2001 ◽  
Vol 30 (10) ◽  
pp. 1010-1011 ◽  
Author(s):  
Shigenori Matsushima ◽  
Takumi Tanizaki ◽  
Hiroyuki Nakamura ◽  
Moriyasu Nonaka ◽  
Masao Arai
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Type Structure ◽  
Band Calculation

First-principles energy band calculation for undoped and N-doped InTaO4 with layered wolframite-type structure

2003 ◽  
Vol 64 (12) ◽  
pp. 2417-2421 ◽  
Author(s):  
Shigenori Matsushima ◽  
Kenji Obata ◽  
Hiroyuki Nakamura ◽  
Masao Arai ◽  
Kenkichiro Kobayashi
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Type Structure ◽  
Band Calculation

scholarly journals First-principles energy band calculation of a (Ca2+, V5+)-doped Y2Ti2O7 pigment

2019 ◽  
Vol 127 (11) ◽  
pp. 793-801
Author(s):  
Shigenori MATSUSHIMA ◽  
Yuya TANAKA ◽  
Junko ISHII ◽  
Kenji OBATA
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Band Calculation

First-Principles Energy Band Calculation for SrAl2O4with Monoclinic Structure

2002 ◽  
Vol 31 (7) ◽  
pp. 700-701 ◽  
Author(s):  
Shigenori Matsushima ◽  
Hiroyuki Nakamura ◽  
Masao Arai ◽  
Chao-Nan Xu
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Monoclinic Structure ◽  
Band Calculation

First-principles energy band calculation for undoped and S-doped TiO2 with anatase structure

2007 ◽  
Vol 68 (2) ◽  
pp. 206-210 ◽  
Author(s):  
Shigenori Matsushima ◽  
Kenji Takehara ◽  
Hirokazu Yamane ◽  
Kenji Yamada ◽  
Hiroyuki Nakamura ◽  
...  
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Anatase Structure ◽  
Doped Tio2 ◽  
Band Calculation

scholarly journals First-principles energy band calculation of Pr-doped ZrSiO4

2021 ◽  
Vol 129 (12) ◽  
pp. 764-769
Author(s):  
Yuki OBUKURO ◽  
Shigenori MATSUSHIMA
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Band Calculation

ChemInform Abstract: First-Principles Energy Band Calculation for SrAl2O4 with Monoclinic Structure.

ChemInform ◽  
2010 ◽  
Vol 33 (43) ◽  
pp. no-no
Author(s):  
Shigenori Matsushima ◽  
Hiroyuki Nakamura ◽  
Masao Arai ◽  
Chao-Nan Xu
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Monoclinic Structure ◽  
Band Calculation

First-principles energy band calculation for CaBi2O4 with monoclinic structure

2010 ◽  
Vol 121 (1-2) ◽  
pp. 385-389 ◽  
Author(s):  
Hiroyuki Nakamura ◽  
Shin’ichirou Ishii ◽  
Kenji Yamada ◽  
Shigenori Matsushima ◽  
Masao Arai ◽  
...  
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Monoclinic Structure ◽  
Band Calculation

First-principles energy band calculation of Ruddlesden–Popper compound Sr3Sn2O7 using modified Becke–Johnson exchange potential

2015 ◽  
Vol 232 ◽  
pp. 163-168 ◽  
Author(s):  
Sunao Kamimura ◽  
Yuki Obukuro ◽  
Shigenori Matsushima ◽  
Hiroyuki Nakamura ◽  
Masao Arai ◽  
...  
Keyword(s):  
First Principles ◽  
Energy Band ◽  
Exchange Potential ◽  
Band Calculation

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

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