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Keyword [first principle calculation]
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1. First-principle Calculation On Magnetic And Electric Properties Of New Spinel Half-metals
2. Structure Design Of Several Typical Hard Or Superconducting Functional Materials At High Pressure
3. First - Principles Study On The Effect Of Strain On Perovskite Single - Phase Multi - Iron Materials
4. Study Of Rh Cluster With First Principle Calculation
5. Investigation On The Electronic Structures And Hydrogen Storage Properties Of Mg-based Hydrogen Storage Alloys
6. The First-principle Calculation Of Physical Properties Under High Pressure
7. First-Principle Study Of Ag Deposition On MgO(001) Surface
8. Construction Of N-body Interatomic Potential For The Cu-Al And Pd-Ti Systems And Its Application For Phase Stability Study
9. The First-Princle Calculation Of Mn-based Perovskite Oxide
10. First-Principles Studies Of Electronic Structures And Optical Properties Of CuInSe2 Doped With Ga
11. Study Of Rutile Superlattices From First Principles Calculations
12. Study Of Electronic And Magnetic Of Mn Based Perovskite Supercell From First Principles
13. First-Principles Study Of Mn2Ag-based Heusler Compounds
14. First-Principle Calculation Of SiC Polytype
15. The First Principle Study On NO Interaction With Ir(111)
16. Study Of Electronic Structure And Optical Properties Of N-type β-Ga2O3
17. First Principle Calculation Model Of Single Molecular Junction Transport Properties
18. Design Of New Two-Dimensional Topological Insulators
19. A New Kind Of Topological Insulator-the Study Of Two Dimensional Pb Material Via First Principle Calculation
20. Effects Of Electrical And Optical Properties Of Doping And Vacancy Defects On SnO2 And TiO2
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