Structural Transition in Large-Lattice-Mismatch Heteroepitaxy

Chen, Yinwei; Washburn, J.

doi:10.1103/physrevlett.77.4046

Cited by 345 publications

(225 citation statements)

References 15 publications

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“…It turns out that there is a critical 2D island size above which monolayer islands become unstable against bilayer islands. Thus, as has been shown earlier by Stoyanov and Markov,48,6 Priester and Lannoo, 28 and Chen and Washburn, 31 the monolayer islands appear as necessary precursors for the formation of 3D islands. Beyond another critical size the bilayer islands become unstable against trilayer islands, etc.…”

Section: Introductionmentioning

confidence: 54%

“…31 The former authors define the critical size by comparing the energy per atom of monolayer islands with that of fully built 3D pyramids. Chen and Washburn have accepted as critical the size at which the energy of the monolayer islands displays a minimum.…”

Section: Discussionmentioning

confidence: 99%

“…The first is the use of the linear theory of elasticity in order to compute the strain contribution to the total energy of the islands. 9,10,28,[30][31][32][33][34][35][36][37][38][39][40] However, the validity of the latter is hard to accept, bearing in mind the high values of the lattice mismatch. As will be shown below, the MDs differ drastically in compressed and expanded films.…”

Section: Introductionmentioning

confidence: 99%

“…This is equivalent to the assumption that the substrate ͑the wetting layer͒ wets the 3D islands completely. 28,[31][32][33][35][36][37][38][39] In fact this assumption rules out 3D islanding from a thermodynamic point of view as 3D islands are only possible at incomplete wetting, or, in other words, when the interfacial energy is greater than zero. 8,[41][42][43][44] As shown below, the adhesion of the atoms to the wetting layer is also distributed along the island in addition to the strain distribution and plays a more significant role than the latter.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Coherent Stranski-Krastanov growth in 1+1 dimensions with anharmonic interactions: An equilibrium study

Korutcheva

Turiel²,

Markov

2000

Phys. Rev. B

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The formation of coherently strained three-dimensional ͑3D͒ islands on top of the wetting layer in the Stranski-Krastanov mode of growth is considered in a model in 1 ϩ 1 dimensions accounting for the anharmonicity and nonconvexity of the real interatomic forces. It is shown that coherent 3D islands can be expected to form in compressed rather than expanded overlayers beyond a critical lattice misfit. In expanded overlayers the classical Stranski-Krastanov growth is expected to occur because the misfit dislocations can become energetically favored at smaller island sizes. The thermodynamic reason for coherent 3D islanding is incomplete wetting owing to the weaker adhesion of the edge atoms. Monolayer height islands with a critical size appear as necessary precursors of the 3D islands. This explains the experimentally observed narrow size distribution of the 3D islands. The 2D-3D transformation takes place by consecutive rearrangements of monoto bilayer, bi-to trilayer islands, etc., after the corresponding critical sizes have been exceeded. The rearrangements are initiated by nucleation events, each one needing to overcome a lower energetic barrier than the one before. The model is in good qualitative agreement with available experimental observations.

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Section: Introductionmentioning

confidence: 54%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Coherent Stranski-Krastanov growth in 1+1 dimensions with anharmonic interactions: An equilibrium study

Korutcheva

Turiel²,

Markov

2000

Phys. Rev. B

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“…Epitaxial growth typically requires a lattice mismatch between the substrate and film below 5% in lattice parameter. 37 From Table 1, we note that the a and c axes provide an interfacial preference between the VO 2 and TiO 2 brookite structures, while the a -b plane would be more favored for homostructural VO 2 growth on TiO 2 columbite and the anatase. We also compared the structural parameters of the A-and B-phases for VO 2 with experimental measurements and found agreement within 2%.…”

Section: Homostructural Epitaxymentioning

confidence: 96%

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Ding

Dwaraknath

Garten

et al. 2016

ACS Appl. Mater. Interfaces

100

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With the ultimate goal of finding new polymorphs through targeted synthesis conditions and techniques, we outline a computational framework to select optimal substrates for epitaxial growth using first principle calculations of formation energies, elastic strain energy and topological information. To demonstrate the approach, we study the stabilization of metastable VO 2 compounds which provides a rich chemical as well as structural polymorph space. We find that common polymorph statistics, lattice matching and energy above hull considerations recommends homostructural growth on TiO 2 substrates, where the VO 2 brookite phase would be preferentially grown on the a -c TiO 2 brookite plane while the columbite and anatase structures favor the a -b 1 plane on the respective TiO 2 phases. Overall, we find that a model which incorporates a geometric unit cell area matching between the substrate and the target film as well as the resulting strain energy density of the film provide qualitative agreement with experimental observations for the heterostructural growth of known VO 2 polymorphs: rutile A-and B phases. The minimal interfacial geometry matching and estimated strain energy criteria provide several suggestions for substrates and substrate-film orientations for the heterostructural growth of the hitherto hypothetical anatase, brookite and columbite polymorphs. These criteria serve as a preliminary guidance for the experimental e↵orts stabilizing new materials and/or polymorphs through epitaxy. The current screening algorithm is being integrated within the Materials Project online framework and data and hence publicly available.

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In situ transmission electron microscopy observations of the formation of self-assembled Ge islands on Si

Ross

Tersoff

Reuter

et al. 1998

Microsc. Res. Tech.

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Structural Transition in Large-Lattice-Mismatch Heteroepitaxy

Cited by 345 publications

References 15 publications

Coherent Stranski-Krastanov growth in 1+1 dimensions with anharmonic interactions: An equilibrium study

Coherent Stranski-Krastanov growth in 1+1 dimensions with anharmonic interactions: An equilibrium study

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

In situ transmission electron microscopy observations of the formation of self-assembled Ge islands on Si

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