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CNKI期刊论文0611(70)
标准(2)
在“
SpringerLink电子期刊
”中,
命中:
1,686
条,耗时:0.0179905 秒
在所有数据库中总计命中:
38,089
条
1.
Electronic structure and transport coefficients of the thermoelectric materials Bi
2
Te
3
from first-
principles
calculation
s
作者:
Xinxin Yan 颜欣心
;
Wenwen Zheng
;
Fengming Liu…
关键词:
Key wordsthermoelectric
;
Bi2Te3
;
first
;
principles
calculation
s
;
electronic structure
;
transport coefficients
刊名:Journal of Wuhan University of Technology-Mater. Sci. Ed.
出版年:2017
2.
Electronic, optical and magnetic properties of TM (Cr and Fe) doped Titania TiO
2
: Ab initio
calculation
s, mean field approximation and Monte Carlo simulation
作者:
El Mehdi Salmani
;
Ayoub Laghrissi
;
Rachida Lamouri…
关键词:
First
;
principles
calculation
;
Self
;
interaction correction
;
TiO2
;
Monte Carlo approach
刊名:Optical and Quantum Electronics
出版年:2017
3.
The structural, elastic, electronic and dynamical properties of chalcopyrite semiconductor BeGeAs
2
from first-
principles
calculation
s
作者:
Yasemin Ö. Çiftci
;
Meryem Evecen
;
Emine Aldırmaz
关键词:
Pressure effect
;
Ternary chalcopyrites
;
Transition metals
;
Phonon
刊名:Applied Physics A
出版年:2017
4.
Predicted Thermoelectric Properties of the Layered XBi
4
S
7
(X = Mn, Fe) Based Materials: First
Principles
Calculation
s
作者:
Sikander Azam
;
Saleem Ayaz Khan
;
Souraya Goumri-Said…
关键词:
Ternary
;
layered chalcogenides
;
DFT
;
transport theory
;
thermoelectric properties
刊名:Journal of Electronic Materials
出版年:2017
5.
First-
Principles
Study of Substitution of Cu and Au for Ni in Ni
3
Sn
2
作者:
Yali Tian
;
Ping Wu
;
Zhengxiong Lu
关键词:
Intermetallic compounds
;
ab initio
calculation
s
;
mechanical properties
;
brittleness and ductility
刊名:Journal of Electronic Materials
出版年:2017
6.
Electronic Structures and Magnetism of Rutile TiO
2
with Vacancy Defects from First
Principles
: GGA + U
Calculation
s
作者:
D. X. Li
;
R. Q. Li
;
Y. Chen
;
J. Yang…
关键词:
Electronic structure
;
Magnetism
;
GGA + U
刊名:Journal of Superconductivity and Novel Magnetism
出版年:2017
7.
Bulk modulus and thermodynamic properties of L2
1
Ni
2
XY
(
X
= Mn, Fe, Co,
Y
= Ga, In) compounds studied by first-
principles
calculation
s
作者:
W. Peng
;
D. H. Zhang
;
N. Xu
刊名:Journal of Materials Science
出版年:2017
8.
Methylammonium cation deficient surface for enhanced binding stability at TiO
2
/CH
3
NH
3
PbI
3
interface
作者:
Xin Xu
;
Kai Li
;
Zhenzhong Yang
;
Jiangjian Shi
;
Dongmei Li
;
Lin Gu…
关键词:
perovskite
;
interfacial atomic structure
;
scanning transmission electron microscopy (STEM)
;
first
;
principles
calculation
s
刊名:Nano Research
出版年:2017
9.
Topological nodal line semimetals predicted from first-
principles
calculation
s
作者:
Rui Yu
;
Zhong Fang
;
Xi Dai
;
Hongming Weng
关键词:
topological states
;
topological semimetals
;
nodal line semimetal
刊名:Frontiers of Physics
出版年:2017
10.
Structural, Electronic and Dynamical Properties of Curium Monopnictides: Density Functional
Calculation
s
作者:
Basant Roondhe
;
Deepak Upadhyay
;
Narayan Som…
关键词:
Density functional theory
;
structural and electronic properties
;
phonon dispersion curve
;
thermodynamical properties
刊名:Journal of Electronic Materials
出版年:2017
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