Determination of the Point of the Zincblende-to-Wurtzite Structural Phase Transition in Cadmium Selenide Crystals

Fedorov, V. A.; Ganshin, V. A.; Korkishko, Yu. N.

doi:10.1002/pssa.2211260133

Cited by 63 publications

(43 citation statements)

References 3 publications

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“…Other works study the differences in physical properties of W and ZB structured QDs [7]. The analysis of the process of the structural phase transformation W $ ZB in crystals and polycrystalline films of CdSe started in the early 60s [11] and has been periodically studied until now [10,[12][13][14]. The analysis of the process of the structural phase transformation W $ ZB in crystals and polycrystalline films of CdSe started in the early 60s [11] and has been periodically studied until now [10,[12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Quantum Confinement and Crystalline Structure of CdSe Nanocrystalline Films

Rivera-Márquez¹,

Rubín‐Falfán

Lozada‐Morales

et al. 2001

phys. stat. sol. (a)

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Nanocrystalline CdSe films were grown onto glass substrates by the chemical bath method. Different constant deposition temperatures (T d ) were employed in the range 4-65 ºC. Average grain size (GS) increased monotonically with T d , reaching saturation at~65 ºC. The GS values were in the interval 5-16 nm. At low T d values (4-15 ºC), the structural phase was hexagonal wurtzite (W), for intermediate values, a wurtzite and zincblende (ZB) mixture of phases was found, and at high T d (65 ºC) only cubic ZB phase was present in the layers. The variation of the bandgap as a result of the structural phase change and quantum confinement is studied.

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Section: Introductionmentioning

confidence: 99%

Quantum Confinement and Crystalline Structure of CdSe Nanocrystalline Films

Rivera-Márquez¹,

Rubín‐Falfán

Lozada‐Morales

et al. 2001

phys. stat. sol. (a)

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“…Because the WZ structure has lower crystal symmetry, which results in smaller bulk moduli and soft phonons [2], it is sometimes possible to stabilize the WZ structure for compounds that have a ZB ground state (e.g., CdSe) by varying the growth temperature or pressure or by using epitaxial strain [9]. It is, however, more difficult to stabilize the ZB phase if a material has the WZ ground state.…”

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confidence: 99%

Hole-Mediated Stabilization of Cubic GaN

Dalpian

Wei

2004

Phys. Rev. Lett.

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We propose here a new approach to stabilize the cubic zinc-blende (ZB) phase by incorporation of impurities into a compound that has a hexagonal wurtzite (WZ) ground state. For GaN, we suggest that this can be achieved by adding 3d acceptors such as Zn, Mn, or Cu because the p-d repulsion between the 3d impurity levels and the valence band maximum is larger in the ZB phase than in the WZ phase. This makes the top of the valence states of the ZB structure higher than that of the WZ structure. As holes are created at the top of the valence states by the impurities, it will cost less energy for the holes to be created in the ZB structure, thus stabilizing this phase. Our first-principles total energy calculations confirm this novel idea.

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“…For GaN, the stable structure at zero temperature is wurtzite, although one can force via epitaxial growth a metastable zincblende compound. While the stable structure seen at zero pressure and room temperature for CdSe is wurtzite, the expected ground state structure is zincblende [39,40]. (Note that Ge, Si, and Sn listed under "ZB" acually refer to the diamond structure, which is the elemental analog of zincblende) ionicity value (e.g., GaSb, InSb, AlAs, GaAs, and GaP do not have a stable NaCl phase, but InAs, InP, and ZnO adopt this structure under pressure) and a systematic absence of the b-Sn phase for all compounds, except the two most covalent, i.e., Ge and Si.…”

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confidence: 99%

Why Are the Conventionally-Assumed High-Pressure Crystal Structures of Ordinary Semiconductors Unstable?

Zunger

Kim

Ozoliņš

2001

phys. stat. sol. (b)

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Recent high-pressure X-ray experiments show that, contrary to traditional expectations and numerous calculations, the NaCl structure is not present in covalent semiconductors, the diatomic b-Sn structure is absent in all compound semiconductors, and the CsCl structure is not seen in ionic semiconductors. We explain these systematic absences in terms of dynamical phonon instabilities of the NaCl, b-Sn, and CsCl crystal structures. Covalent materials in NaCl structures become dynamically unstable with respect to the transverse acoustic TA½001 phonon, while ionic compounds in the b-Sn structure exhibit phonon instabilities in the longitudinal optical LO½00x branch. The latter lead to predicted new high pressure phases of octet semiconductors. For InSb, we find no phonon instability that could prevent the CsCl phase from forming, but for the more ionic GaP, GaAs, InP, and InAs, we find that the CsCl phase is dynamically unstable at high pressures with respect to TA½xx0 phonons. Analysis of the soft normal modes via ''isotropy subgroup" suggests two candidate structures that will replace the CsCl structure at high pressure: the tP4 (B10) InBi-type and the oP4 (B19) AuCd-type. Experimental examination of these predictions is called for.

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Determination of the Point of the Zincblende-to-Wurtzite Structural Phase Transition in Cadmium Selenide Crystals

Cited by 63 publications

References 3 publications

Quantum Confinement and Crystalline Structure of CdSe Nanocrystalline Films

Quantum Confinement and Crystalline Structure of CdSe Nanocrystalline Films

Hole-Mediated Stabilization of Cubic GaN

Why Are the Conventionally-Assumed High-Pressure Crystal Structures of Ordinary Semiconductors Unstable?

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