Chapter 3 Structural Transitions in the Group IV, III-V, and II-VI Semiconductors under Pressure

Nelmes, R. J.; McMahon, M. I.

doi:10.1016/s0080-8784(08)60231-8

Cited by 181 publications

(160 citation statements)

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“…Of particular relevance to the present article are the reviews of the experimental structural data for most IVA elements and IIIA-VA and IIB-VIA compounds under pressure by Nelmes and McMahon (1998) and of both theoretical and experimental work on IVA elements and IIIA-VA compounds by Ackland (2001a).…”

Section: ϫ2mentioning

confidence: 99%

“…The interval of stability of the ␤-Sn phase of Si is now known to be very small, from 13.2 to 15.6 GPa according to McMahon and Nelmes (1993). However, in Ge the ␤-Sn phase remains stable over a very large pressure interval from ϳ10 GPa to ϳ75 GPa (Nelmes, Liu, et al, 1996;Nelmes and McMahon, 1998). The possibility of the intermediate Imma phase had first been postulated on the basis of first-principles calculations though conclusive experimental evidence for its existence was precluded at the time by the limited resolution of EDX diffraction studies.…”

Section: B ␤-Sn→imma→shmentioning

confidence: 99%

“…A broad consensus was reached by the end of the 1980s that under increasing pressure the materials adopt high-symmetry structures of increasing coordination number. However, recent experiments have shown that previously unexpected lower-symmetry phases are formed at intermediate pressures (see Nelmes and McMahon, 1998). These discoveries have been made possible by advances in the resolution of high-pressure powder x-ray diffraction studies and more sophisticated data analysis techniques (see Sec.…”

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High-pressure phases of group-IV, III–V, and II–VI compounds

et al. 2003

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Advances in the accuracy and efficiency of first-principles electronic structure calculations have allowed detailed studies of the energetics of materials under high pressures. At the same time, improvements in the resolution of powder x-ray diffraction experiments and more sophisticated methods of data analysis have revealed the existence of many new and unexpected high-pressure phases. The most complete set of theoretical and experimental data obtained to date is for the group-IVA elements and the group-IIIA-VA and IIB-VIA compounds. Here the authors review the currently known structures and high-pressure behavior of these materials and the theoretical work that has been done on them. The capabilities of modern first-principles methods are illustrated by a full comparison with the experimental data. CONTENTS

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Section: ϫ2mentioning

confidence: 99%

Section: B ␤-Sn→imma→shmentioning

confidence: 99%

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High-pressure phases of group-IV, III–V, and II–VI compounds

et al. 2003

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“…At high pressure it has been reported that the phase transformation from zinc blende to cinnabar phase takes place at 5.5 GPa to 14.5 GPa [26] and at 27 GPa it transforms into rock salt (NaCl) [27]. There is also evidence for a continuous transition to a phase III which appears to be a distorted form of NaCl at < 55 GPa [27] and above 30 GPa [28]. Based on the literature, the cubic phase transforms to distort NaCl at about 55 GPa.…”

Section: Resultsmentioning

confidence: 99%

In-Situ High Pressure Studies on Nanocrystalline Mercury Sulphide

Joy¹,

Jaya²

2016

JPSA

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Nanocrystalline β-HgS has many technological applications and prepared by novel microwave assisted method. The structural stability was studied by in situ high pressure X-ray powder diffraction measurements. No structural transformation was observed in nano-HgS upto 15 GPa. There is a shift in transition pressure towards the higher side when compared with the bulk materials. The volume decreased with an increase of pressure.

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“…Generally, at the pressure increase the materials adopt high-symmetry structures of increasing coordination number. However, in some cases the previously unexpected lower-symmetry phases are formed at intermediate pressures [3]. Presumably simple high-symmetry structures are adopted at very high pressures.…”

Section: Introductionmentioning

confidence: 91%

Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations)

Andriyevsky¹,

Ciepluch-Trojanek²,

Patryn³

2007

Condens. Matter Phys.

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First principle calculations of the effect of hydrostatic pressure on the structural and electronic parameters of TGS crystals have been carried out within the framework of density functional theory using the CASTEP code. The volume dependence of total electronic energy E(V ) of the crystal unit cell satisfies the third-order Birch-Murnaghan isothermal equation of state. For the pressure range of −5 . . . 5 GPa, the bulk modulus was found to be equal to K = 45±5 GPa. The relative pressure changes of the unit cell parameters were found to be linear in the range of −5 . . . 5 GPa. Crossing of the pressure dependencies of enthalpy corresponding to the ferroelectric and non-ferroelectric phases at P = 7.7 GPa testifies to the probable pressure induced phase transition in TGS crystal.

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Chapter 3 Structural Transitions in the Group IV, III-V, and II-VI Semiconductors under Pressure

Cited by 181 publications

References 191 publications

High-pressure phases of group-IV, III–V, and II–VI compounds

High-pressure phases of group-IV, III–V, and II–VI compounds

In-Situ High Pressure Studies on Nanocrystalline Mercury Sulphide

Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations)

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