HOME CONTACT My eBook

Username: Password:

> @scientific.net

Articles by keyword: «First-Principles Calculations»

• Ab Initio Calculation of (001) TiAl₃/Al Interface
  Published in: Manufacturing Science and Technology (p1305)
• A First Principles Study of Palladium Impurities in Silicon Carbide
  Published in: 11th International Ceramics Congress (p1969)
• A Method to Investigate Stability of Silicon Coating on Diamond Substrate by First Principle Calculation
  Published in: Application of Diamond and Related Materials (p13)
• A Systematic Study on Iron Carbides from First-Principles
  Published in: PRICM7 (p47)
• Active Materials Based on Implanted Si for Obtaining Intermediate Band Solar Cells
  Published in: 5th FORUM ON NEW MATERIALS PART C (p151)
• Adsorption of Antimony on Si(113) Surfaces: Ab-Initio Calculations and STM Investigations
  Published in: Defects in Semiconductors 18 (p497)
• Alkaline-Earth and Rare-Earth Elements and Oxygen Vacancy in BaTiO₃: Analyses by First-Principles Calculations and EXAFS
  Published in: Electroceramics in Japan XIV (p23)
• An Ab Initio Study of Intrinsic Stacking Faults in GaN
  Published in: Silicon Carbide and Related Materials 2003 (p1617)
• An ab initio Study of Native Defects in Cubic SiC: Vacancies and Stacking Faults
  Published in: Silicon Carbide, III-Nitrides and Related Materials (p283)
• Application of First-Principles Methods for the Calculation of the Crystal and Electronic Structure of Oxynitrides
  Published in: Euro Ceramics VII (p1149)
• Band Structures and Optical Properties of CBOB Crystal Material Based on First-Principles Study
  Published in: Optical, Electronic Materials and Applications (p1)
• Complex Diffusive Processes in Silicon
  Published in: Diffusion in Materials DIMAT 1996 (p971)
• Composition-Dependent Basics of Smart Heusler Materials from First- Principles Calculations
  Published in: Advances in Magnetic Shape Memory Materials (p1)
• Computational Simulations of Li Ion Conduction in (Li,La)TiO₃
  Published in: Electroceramics in Japan IX (p275)
• Crystal Structure and Electronic Properties of Graphite-Like C₇N Phase from First-Principles Calculations
  Published in: Computational Materials Science (p940)