Electronic structure of disordered systems with periodic lattice distortion

1984 ◽  
Vol 17 (11) ◽  
pp. 1885-1895 ◽  
Author(s):  
H Aoki
Keyword(s):  
Electronic Structure ◽  
Disordered Systems ◽  
Lattice Distortion ◽  
Periodic Lattice

Exchange coupling and electronic structure of La1−xCaxMnO3: Effect of lattice distortion, canting, and doping (abstract)

1997 ◽  
Vol 81 (8) ◽  
pp. 4416-4416
Author(s):  
O. N. Mryasov ◽  
R. F. Sabiryanov ◽  
A. J. Freeman ◽  
S. S. Jaswal
Keyword(s):  
Electronic Structure ◽  
Exchange Coupling ◽  
Lattice Distortion

X-ray diffuse scattering as precursor of incommensurate Peierls transitions in one-dimensional organic charge transfer conductors

2004 ◽  
Vol 219 (11) ◽  
Author(s):  
Jean-Paul Pouget
Keyword(s):  
Charge Transfer ◽  
Charge Density Wave ◽  
Diffuse Scattering ◽  
Lattice Distortion ◽  
Density Wave ◽  
Periodic Lattice ◽  
One Dimensional ◽  
X Ray ◽  
Charge Transfer Salts ◽  
A Charge

AbstractQuasi-one dimensional (1D) conductors of the TTF-TCNQ family of charge transfer salts exhibit a Peierls transition which stabilizes a periodic lattice distortion (PLD), accompanied by a charge density wave (CDW) modulation, with an incommensurate 2

scholarly journals Effects of electron beam generated lattice defects on the periodic lattice distortion structure in 1T−TaS2 and 1T−TaSe2 thin layers

2019 ◽  
Vol 99 (2) ◽  
Author(s):  
M. K. Kinyanjui ◽  
T. Björkman ◽  
T. Lehnert ◽  
J. Köster ◽  
A. Krasheninnikov ◽  
...  
Keyword(s):  
Electron Beam ◽  
Lattice Distortion ◽  
Thin Layers ◽  
Lattice Defects ◽  
Periodic Lattice

Theoretical Study of the Electronic Structures of Li-Doped ZnO

2012 ◽  
Vol 535-537 ◽  
pp. 214-218
Author(s):  
Qi Xin Wan ◽  
Jia Yi Chen ◽  
Zhi Hua Xiong ◽  
Dong Mei Li ◽  
Bi Lin Shao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Formation Energy ◽  
Lattice Distortion ◽  
Theoretical Study ◽  
Functional Theory ◽  
Li Doping ◽  
The Density Functional Theory ◽  
Doped Zno ◽  
Good Agreement

The first-principles with pseudopotentials method based on the density functional theory was applied to calculate the geometric structure, the formation energy of impurities and the electronic structure of Li-doped ZnO. In the system of Li-doped ZnO, LiZn can not result in lattice distortion. In contrast with that case, LiO and Lii result in lattice distortion after Li doping in ZnO. In Li-doped ZnO, LiO is the most unstable than the other cases. Simultaneously, Lii is more stable than LiZn according to that Lii has smaller formation energy. Furthermore, the electronic structure of Li-doped ZnO indicates that that LiZn behaves as acceptor, while Lii behaves as donor. In conclusion, in Li-doped ZnO, Lii is always in the system to compensate the acceptor. Singly doping Li in ZnO is difficult to gain p-ZnO for the self-compensation. The results are in good agreement with other calculated and experimental results.

scholarly journals Electronic structure, low-temperature transport and thermodynamic properties of polymorphic β-As2Te3

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 52048-52057 ◽  
Author(s):  
J.-B. Vaney ◽  
J.-C. Crivello ◽  
C. Morin ◽  
G. Delaizir ◽  
J. Carreaud ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Low Temperature ◽  
Thermodynamic Properties ◽  
Transport Properties ◽  
Lattice Distortion ◽  
First Order

The first-order lattice distortion undergone by β-As2Te3 around 200 K results in a cycling effect on its transport properties.

scholarly journals Impact of lattice distortion and electron doping on α-MoO3 electronic structure

2014 ◽  
Vol 4 (1) ◽  
Author(s):  
Peng-Ru Huang ◽  
Yao He ◽  
Chao Cao ◽  
Zheng-Hong Lu
Keyword(s):  
Electronic Structure ◽  
Lattice Distortion ◽  
Electron Doping

The electronic structure of quasi-one-dimensional disordered systems with parallel multi-chains

2006 ◽  
Vol 383 (2) ◽  
pp. 226-231 ◽  
Author(s):  
Xiao-liang Liu ◽  
Hui Xu ◽  
Chao-sheng Deng ◽  
Song-shan Ma
Keyword(s):  
Electronic Structure ◽  
Disordered Systems ◽  
One Dimensional
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