Effects of Bi-doping on electronic structure and martensitic transformation in Ni2MnGa and Mn2NiGa MSMAs: A theoretical approach

2021 ◽  
pp. 168815
Author(s):  
Xiangyu Shi ◽  
Ruirui Gao ◽  
Jianqiang Li ◽  
Tongyou Lu ◽  
Hongzhi Luo
Keyword(s):  
Electronic Structure ◽  
Martensitic Transformation ◽  
Theoretical Approach ◽  
Bi Doping

The unexpected effect of vacancies and wrinkling on the electronic properties of MoS2 layers

2019 ◽  
Vol 21 (44) ◽  
pp. 24731-24739 ◽  
Author(s):  
Fábio R. Negreiros ◽  
Germán J. Soldano ◽  
Sergio Fuentes ◽  
Trino Zepeda ◽  
Miguel José-Yacamán ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Theoretical Approach ◽  
2D Material ◽  
Unexpected Effect

We report a combined experimental/theoretical approach to study the connection of S-vacancies and wrinkling on MoS2 layers, and how this feature produces significant changes in the electronic structure and reactivity of this 2D material.

scholarly journals EELS Study of the Electronic Structure Changes Associated with the Martensitic Transformation in a Cu-Al-Be Alloy

2003 ◽  
Vol 9 (S02) ◽  
pp. 580-581
Author(s):  
D. Ríos-Jara ◽  
H. Flores-Zúñiga ◽  
M.T. Ochoa ◽  
F. Espinosa-Magaña
Keyword(s):  
Electronic Structure ◽  
Martensitic Transformation ◽  
Structure Changes

Electronic Structure and Optical Response of Electroluminescent Conjugated Polymers

1997 ◽  
Vol 488 ◽  
Author(s):  
J. L. Bredas ◽  
J. Cornil ◽  
D. Beljonne ◽  
D. A. Dos Santos ◽  
Z. Shuaiv ◽  
...  
Keyword(s):  
Experimental Data ◽  
Optical Properties ◽  
Electronic Structure ◽  
Quantum Yield ◽  
Conjugated Polymers ◽  
Quantum Chemical Calculations ◽  
Theoretical Approach ◽  
Quantum Chemical ◽  
Fluorescence Quantum Yield ◽  
Remarkable Agreement

AbstractIn this contribution, we investigate by means of correlated quantum-chemical calculations the influence of intermolecular interactions on the absorption and emission properties of conjugated chains. Various strategies are suggested to avoid a substantial decrease in fluorescence quantum yield in condensed media. Finally, the reliability of our theoretical approach is validated by showing the remarkable agreement obtained between the experimental data and the calculated optical properties of clusters formed by sexithienyl molecules.

scholarly journals An Interpretation of Martensitic Transformation in L12-Type Fe3Pt from Its Electronic Structure

2010 ◽  
Vol 51 (5) ◽  
pp. 896-898 ◽  
Author(s):  
Takuya Yamamoto ◽  
Masataka Yamamoto ◽  
Takashi Fukuda ◽  
Tomoyuki Kakeshita ◽  
Hisazumi Akai
Keyword(s):  
Electronic Structure ◽  
Martensitic Transformation

Electronic structure of (Ag+)2 pairs in NaCl: A theoretical approach

1987 ◽  
Vol 48 (3) ◽  
pp. 289-296 ◽  
Author(s):  
B. Atoussi ◽  
H. Chermette ◽  
C. Pedrini
Keyword(s):  
Electronic Structure ◽  
Theoretical Approach
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