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Xue, Qi Kun; Xue, Q. K.; Bakhtizin, R. Z.; Hasegawa, Yukio; Tsong, I. S T; Sakurai, Takeshi; Ohno, Takahisa

doi:10.1103/physrevlett.82.3074

Cited by 98 publications

(58 citation statements)

References 30 publications

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“…15 The surface reconstructs to optimize the surface energy, and different surface stoichiometry and crystallographic orientation give rise to different stable surface structure, which can be a fingerprint of film polarity, such as the case of GaN͑0001͒ and GaN͑0001͒. 19,20 Under this context, we speculate that the ZnO films may have a Zn polarity.…”

Section: 12mentioning

confidence: 96%

Controlled growth of Zn-polar ZnO epitaxial film by nitridation of sapphire substrate

Mei

Wang

et al. 2005

Applied Physics Letters

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Section: 12mentioning

confidence: 96%

Controlled growth of Zn-polar ZnO epitaxial film by nitridation of sapphire substrate

Mei

Wang

et al. 2005

Applied Physics Letters

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“…Despite progress in experimental techniques, it is still hard to obtain the atomicscale details. Diffraction and microscopy can yield the periodicity and symmetry 1,2 . However, the sampling space is astronomically large, and solutions may defy intuition, even for monoatomic systems: consider Si(111) 7×7 [3][4][5] .…”

Section: Introductionmentioning

confidence: 99%

Evolutionary method for predicting surface reconstructions with variable stoichiometry

et al. 2013

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We present a specially designed evolutionary algorithm for the prediction of surface reconstructions. This new technique allows one to automatically explore all the low-energy configurations with variable surface atoms and variable surface unit cells through the whole chemical potential range. The power of evolutionary search is demonstrated by the efficient identification of diamond 2×1 (100) and 2×1 (111) surfaces with a fixed number of surface atom and a fixed cell size. With further variation of surface unit cells, we study the reconstructions of the polar surface MgO (111). Experiment has detected an oxygen trimer (ozone) motif (Plass et al, 1998). We predict a new version of this motif which can be thermodynamically stable at extreme oxygen rich condition. Finally, we perform a variable stoichiometry search for a complex ternary system: semi-polar GaN (1011) with and without adsorbed oxygen. The search yields a non-intuitive reconstruction based on N3-trimers. These examples demonstrate that an automated scheme to explore the energy landscape of surfaces will improve our understanding of surface reconstructions. The method presented in this report can be generally applied to binary and multi-component systems.

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“…Hence, there is both a technological and a basic science need to better understand III-V surface reconstructions. It is particularly true for the GaN(0 0 0 1) surface reconstructions which have been studied so far by a limited number of research groups [4][5][6][7][8][9][10][11][12][13]. There are two dominant techniques for preparing GaN by molecular beam epitaxy (MBE), growth using an ammonia source and growth using an atomic nitrogen source produced by a plasma cell [14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Origins of GaN(0001) surface reconstructions

et al. 2003

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The reconstructions of the Ga polarity GaN(0 0 0 1) surface with and without trace amounts of arsenic and prepared by molecular beam epitaxy (MBE) have been studied with in situ reflection high-energy electron diffraction (RHEED) and scanning tunneling microscopy (STM). Various reconstructions are observed with RHEED by analyzing patterns while the substrate is exposed to a fixed NH3 flux or after depositing known amounts of Ga as a function of substrate temperature. In situ STM images reveal that only a few of these reconstructions yield long-range periodicity in real space. The controversial role of arsenic on Ga induced reconstructions was also investigated using two independent MBE chambers and X-ray photoelectron spectroscopy.

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Structures of GaN(0001)-(2×2), -(4×4), and -(5×

Cited by 98 publications

References 30 publications

Controlled growth of Zn-polar ZnO epitaxial film by nitridation of sapphire substrate

Controlled growth of Zn-polar ZnO epitaxial film by nitridation of sapphire substrate

Evolutionary method for predicting surface reconstructions with variable stoichiometry

Origins of GaN(0001) surface reconstructions

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