scholarly journals Formation energy and interaction of point defects in two-dimensional colloidal crystals

2007 ◽  
Vol 76 (3) ◽  
Author(s):  
L. C. DaSilva ◽  
L. Cândido ◽  
L. da F. Costa ◽  
Osvaldo N. Oliveira
Keyword(s):  
Point Defects ◽  
Formation Energy ◽  
Colloidal Crystals ◽  
Two Dimensional

scholarly journals Point defects in two-dimensional colloidal crystals: simulation vs. elasticity theory

Soft Matter ◽  
2009 ◽  
Vol 5 (3) ◽  
pp. 646-659 ◽  
Author(s):  
Wolfgang Lechner ◽  
Christoph Dellago
Keyword(s):  
Elasticity Theory ◽  
Point Defects ◽  
Colloidal Crystals ◽  
Two Dimensional

scholarly journals Displacement fields of point defects in two-dimensional colloidal crystals

2008 ◽  
Vol 20 (40) ◽  
pp. 404202 ◽  
Author(s):  
Wolfgang Lechner ◽  
Elisabeth Schöll-Paschinger ◽  
Christoph Dellago
Keyword(s):  
Point Defects ◽  
Colloidal Crystals ◽  
Two Dimensional ◽  
Displacement Fields

scholarly journals Diffusion of point defects in two-dimensional colloidal crystals

Nature ◽  
2001 ◽  
Vol 413 (6852) ◽  
pp. 147-150 ◽  
Author(s):  
Alexandros Pertsinidis ◽  
X. S. Ling
Keyword(s):  
Point Defects ◽  
Colloidal Crystals ◽  
Two Dimensional

scholarly journals Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials

2014 ◽  
Vol 4 (3) ◽  
Author(s):  
Hannu-Pekka Komsa ◽  
Natalia Berseneva ◽  
Arkady V. Krasheninnikov ◽  
Risto M. Nieminen
Keyword(s):  
Point Defects ◽  
Formation Energy ◽  
Two Dimensional ◽  
Energy Calculations ◽  
Two Dimensional Materials ◽  
Charged Point

scholarly journals Point Defects in Two-Dimensional γ-Phosphorus Carbide

2020 ◽  
pp. 620-626
Author(s):  
Andrey A. Kistanov ◽  
Vladimir R. Nikitenko ◽  
Oleg V. Prezhdo
Keyword(s):  
Point Defects ◽  
Two Dimensional

scholarly journals Shear modulus of two-dimensional colloidal crystals

2002 ◽  
Vol 57 (2) ◽  
pp. 219-225 ◽  
Author(s):  
A Wille ◽  
F Valmont ◽  
K Zahn ◽  
G Maret
Keyword(s):  
Shear Modulus ◽  
Colloidal Crystals ◽  
Two Dimensional

scholarly journals First-Principles Assessment of the Structure and Stability of 15 Intrinsic Point Defects in Zinc-Blende Indium Arsenide

Crystals ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 48 ◽  
Author(s):  
Qing Peng ◽  
Nanjun Chen ◽  
Danhong Huang ◽  
Eric Heller ◽  
David Cardimona ◽  
...  
Keyword(s):  
Fermi Level ◽  
Charge State ◽  
Indium Arsenide ◽  
Point Defects ◽  
First Principles ◽  
Formation Energy ◽  
Fast Diffusion ◽  
Intrinsic Point Defects ◽  
Zinc Blende ◽  
Tetrahedral Sites

Point defects are inevitable, at least due to thermodynamics, and essential for engineering semiconductors. Herein, we investigate the formation and electronic structures of fifteen different kinds of intrinsic point defects of zinc blende indium arsenide (zb-InAs ) using first-principles calculations. For As-rich environment, substitutional point defects are the primary intrinsic point defects in zb-InAs until the n-type doping region with Fermi level above 0.32 eV is reached, where the dominant intrinsic point defects are changed to In vacancies. For In-rich environment, In tetrahedral interstitial has the lowest formation energy till n-type doped region with Fermi level 0.24 eV where substitutional point defects In A s take over. The dumbbell interstitials prefer < 110 > configurations. For tetrahedral interstitials, In atoms prefer 4-As tetrahedral site for both As-rich and In-rich environments until the Fermi level goes above 0.26 eV in n-type doped region, where In atoms acquire the same formation energy at both tetrahedral sites and the same charge state. This implies a fast diffusion along the t − T − t path among the tetrahedral sites for In atoms. The In vacancies V I n decrease quickly and monotonically with increasing Fermi level and has a q = − 3 e charge state at the same time. The most popular vacancy-type defect is V I n in an As-rich environment, but switches to V A s in an In-rich environment at light p-doped region when Fermi level below 0.2 eV. This study sheds light on the relative stabilities of these intrinsic point defects, their concentrations and possible diffusions, which is expected useful in defect-engineering zb-InAs based semiconductors, as well as the material design for radiation-tolerant electronics.

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