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  First-principles calculations for defects and impurities ... - Scitation
  
  2004年3月31日 - First-principles calculations have evolved from mere aids in explaining and supporting ...
  
  2025-12-13
  
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APPLIED PHYSICS REVIEWS First-principles calculations for ...

日期：2025-12-14

2004年4月15日 - APPLIED PHYSICS REVIEWS. First-principles calculations for defects and impurities:....

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First-principles calculations for point defects in solids | Arslan ...

日期：2025-12-14

... methodology for performing first-principles ground-state calculations for defects and impurities....

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First-principles calculations for point defects in solids

日期：2025-12-13

行動版 - 2014年3月28日 - Point defects and impurities strongly affect the physical properties of materials and have a ... First-principles calculations have emerged as a powerful approach that ......

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Advances in electronic structure methods for defects and ...

日期：2025-12-15

2010年11月16日 - Abstract. Defects and impurities are often decisive in determining the physical properties of most materials. ... First-principles calculations have emerged as a powerful ......

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First-Principles Calculations of Co Impurities and Native ...

日期：2025-12-10

First-Principles Calculations of Co Impurities and Native Defects in ZnO. Fumiyasu Oba1 ∗, Takahisa ......

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1 Advances in Electronic Structure Methods for Defects and ...

日期：2025-12-17

First-principles studies of point defects and impurities in semiconductors, insulators, ... Advanced Calculations for Defects in Materials: Electronic Structure Methods, First Edition....

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Advanced Calculations for Defects in Materials: Electronic ...

日期：2025-12-15

For all these reasons, the availability of first-principles calculations that can accurately address atomic and electronic structure of defects and impurities has had a great impact on the field ......

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