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内部出版物
Wiley电子期刊(5)
SpringerLink电子期刊(13)
Elsevier电子期刊(56)
ACS电子期刊(63)
在“
Elsevier电子期刊
”中,
命中:
56
条,耗时:小于0.01 秒
在所有数据库中总计命中:
137
条
1.
The electronic structure and optical properties of donor-acceptor codoped TiO
2
nanosheets from hybrid functional calculations
作者:
Yanyu Liu
;
Wei Zhou
;
Ping Wu
;
pingwu@tju.edu.cn
关键词:
TiO2 nanosheets
;
Solid solution
;
Visible light response
;
HSE06
刊名:Materials Chemistry and Physics
出版年:2017
2.
Influence of oxygen vacancy on electric structure and optical properties of pure and N-doped Sr
2
M
2
O
7
(M = Nb, Ta)
作者:
Yu-Min Song
;
Jian-Qing Dai
;
djqkust@sina.com
;
Hu Zhang
关键词:
Sr2M2O7
;
Electronic structure
;
Oxygen vacancy
;
N-doped
;
Optical property
刊名:Computational Materials Science
出版年:2017
3.
A theoretical study of dielectric tensor, Born effective charges, LO-TO splitting and infrared response of Al
4
SiC
4
and Al
4
Si
2
C
5
作者:
Y.F. Li
a
;
B. Xiao
b
;
b.xiao@ucl.ac.uk" class="auth_mail" title="E-mail the corresponding author
;
xbaprs@163.com" class="auth_mail" title="E-mail the corresponding author
;
L. Sun
a
;
Y.M. Gao
a
;
Y.H. Cheng
c
关键词:
Aluminum silicon carbide
;
Dielectric constants
;
Born effective charges
;
LO-TO splitting
刊名:Journal of Alloys and Compounds
出版年:2017
4.
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches
作者:
Sumeet C. Pandey
a
;
spandey@micron.com
;
Xu Xu
a
;
Izaak Williamson
b
;
Eric B. Nelson
b
;
Lan Li
b
;
c
刊名:Chemical Physics Letters
出版年:2017
5.
First principle calculation of physical properties of barium based chalcogenides BaM
4
S
7
(M = Ga, Al); a DFT, DFT-D and hybrid functional
HSE06
study
作者:
Ali Benghia
a.benghia@lagh-univ.dz" class="auth_mail" title="E-mail the corresponding author
benghia11@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Tahar Dahame
t.dahame@mail.lagh-univ.dz" class="auth_mail" title="E-mail the corresponding author
;
Bachir Bentria
;
bentria_b@yahoo.co.uk" class="auth_mail" title="E-mail the corresponding author
关键词:
Ternary chalcogenides
;
Linear and nonlinear optical properties
;
Hybrid functional
HSE06
;
Non centrosymmetric materials
;
Semiconductor
;
DFT-D correction
刊名:Optical Materials
出版年:2016
6.
Lanthanide-doped LaSi
3
N
5
based phosphors: Ab initio study of electronic structures, band gaps, and energy level locations
作者:
Ismail A.M. Ibrahim
a
;
b
;
ismail.ibrahim@savba.sk" class="auth_mail" title="E-mail the corresponding author
;
ismail.ibrahim@science.helwan.edu.eg" class="auth_mail" title="E-mail the corresponding author
;
Zoltá
;
n Lenčé
;
&scaron
;
a
;
Lubomir Benco
a
;
c
;
Pavol &Scaron
;
ajgalí
;
k
a
关键词:
Lanthanide dopants
;
Ab initio calculations
;
HSE06
functional
;
Electronic structure
;
Band gap
;
Energy levels locations
刊名:Journal of Luminescence
出版年:2016
7.
The effects of uniaxial and biaxial strain on the electronic structure of germanium
作者:
Kaoruho Sakata
a
;
ksakata@stanford.edu" class="auth_mail" title="E-mail the corresponding author
;
Blanka Magyari-Kö
;
pe
a
;
blankamk@stanford.edu" class="auth_mail" title="E-mail the corresponding author
;
Suyog Gupta
a
;
Yoshio Nishi
a
;
Anders Blom
b
;
Peter Deá
;
k
c
关键词:
Strained Ge
;
Band structure
;
Uniaxial strain
;
Biaxial strain
;
HSE
;
LDA+U
;
MGGA
;
Effective mass
刊名:Computational Materials Science
出版年:2016
8.
Electronic and optical properties of Mg-, F-doped and Mg∖F-codoped M
1
-VO
2
via hybrid density functional calculations
作者:
I. Abdellaoui
a
;
G. Merad
a
;
M. Maaza
b
;
H. Si Abdelkader
a
;
hayet.siabdelkader@mail.univ-tlemcen.dz" class="auth_mail" title="E-mail the corresponding author
关键词:
VO2
;
HSE06
hybrid DFT
;
Mg∖F-codoping
;
Smart windows
;
Absorption
刊名:Journal of Alloys and Compounds
出版年:2016
9.
Structural, electronic and optical properties of Li intercalated on MO
3
(M: Mo, W): A first principle investigation
作者:
A. Mahmoudi
;
amaria_physique@yahoo.fr" class="auth_mail" title="E-mail the corresponding author
;
H.I. Faraoun
faraoun@mptic.dz" class="auth_mail" title="E-mail the corresponding author
;
M.K. Benabadji
kbenabadji@yahoo.fr" class="auth_mail" title="E-mail the corresponding author
;
I. Abdellaoui
abdellaoui.ibrahim@yahoo.fr" class="auth_mail" title="E-mail the corresponding author
;
M. Dergal
mali_dergal@yahoo.fr" class="auth_mail" title="E-mail the corresponding author
关键词:
Transition metal oxides
;
Electrochromic
;
Ab initio
;
HSE06
hybrid DFT
;
Electronic properties
;
Optical properties
刊名:Solid State Communications
出版年:2016
10.
Half-metallic and magnetic properties of AlN nanosheets doped with nonmagnetic metals: A first-principles study
作者:
Gang Xiao
a
;
b
;
Ling-Ling Wang
a
;
llwang@hnu.edu.cn" class="auth_mail" title="E-mail the corresponding author
;
Qing-Yan Rong
a
;
b
;
Hai-Qing Xu
b
;
Wen-Zhi Xiao
b
关键词:
2D AlN monolayer
;
Electronic structures
;
Half-metallic
;
First-principles
刊名:Computational Materials Science
出版年:2016
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