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Keyword [first principles calculation]
Result: 41 - 60 | Page: 3 of 10
41.
Ab Initio Study Of Electronic Structure And Optical Properties Of A
â…
B
â…¢
C
2
â…¥
42.
The Properties Of Dissociated Dislocations In MgB
2
and Elastic Anisotropy Of Mg（Cd）CNi
3
under High Pressure
43.
First-principles Calculation Of Lithium Adsorption And Diffusion On Silicene
44.
First-principles Study Of The Spectral Parameters Of Rare Earth Ions
45.
First Principle Calculation Model Of Single Molecular Junction Transport Properties
46.
First Principles Calculation Of GaAs
1-x
Sb
x
Ternary Mixed Crystal Electronic Structure And Optical Properties
47.
Theoretical Investigation Of Structural Stabilities And Electronic Properties Of Sulfur Modified Diamond Nanocrystals
48.
Effect Of Strain On The Electronic And Magnetic Properties Of Ti
2
CrSi Alloy:a First-Principles Study
49.
The Effect Of Spin-Orbit Coupling On Electronic Structure Of MoS
2
/WSe
2
Superlattice And Pt/Co Multilayers
50.
Ab-initio Studies On The Electronic Structures And Optical Properties Of Ba
2
Ti
2
Fe
2
As
4
O And CaIr
2
51.
First-principles Study On The Structural Stability Of 1T-XS2(X=Mo, W) Monolayer By Stress Controlling
52.
Tuning The Electronic Structure Of The Topological Insulator Bi
2
Te
3
Thin Films With Dopants
53.
The Study On The MPc/Au(111) Adsorbed Systems With Different Functionals Based On First-principle Calculations
54.
First-principles Calculations For Elastic Properties And Electronic Structures Of Fe-based Alloys
55.
First-principles Calculation Of N,Hf Sigle-doped And Co-doped ZnO
56.
First-principles Calculations On Electronic Structures And Optical Properties Of Monolayer MoS
2
And Nonmetallic Element Substituted MoS
2
Monolayer
57.
The First-principles Studies On The Elastic And Magnetic Properties Of The Two-dimensional CrN
58.
First Principles Calculation Of Copper Based Mixed Transition Metal Clusters And Their Adsorption Characteristics
59.
First Principles Study On Tuning The Negative Thermal Expansion Property Of ScF
3
By Doping
60.
First-principles Calculation Of Magnetic Properties In Zno-based Diluted Magnetic Semiconductors
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