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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Characterizing modulated structures with first-principles calculations: a unified superspace scheme of ordering in

Paul Benjamin Klar1, Iñigo Etxebarria2, Gotzon Madariaga1

  • 1Departamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco UPV/EHU, Apartado 644, Bilbao, 48080, Spain.

Acta Crystallographica. Section A, Foundations and Advances
|March 2, 2019
PubMed

Keywords:
Al/Si orderingdensity functional theory (DFT)modulation functionsmullitesilicatessuperspace

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