The effect of pressure on the resistance and lattice parameters of cadmium and zinc

Lynch, R.W.; Drickamer, H. G.

doi:10.1016/0022-3697(65)90073-9

Cited by 89 publications

(36 citation statements)

References 8 publications

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“…The unit-cell dimensions were estimated by leastsquares analysis using the reflexion positions for both Cu Kat (2= 1.54433 A) and Cu K~ 2 (2----= 1-54051 A) radiation: a = b = 2-6659 _+ 0-0001, c = 4-9403 ___ 0-0002 A, compared with values obtained bYo Lynch & Drickamer (1965): a = b = 2.665, c = 4.947 A. The sample was measured once more with a Hilger and Watts diffractometer with graphite monochromator.…”

Section: Methodsmentioning

confidence: 99%

X-ray measurement of the root-mean-square displacement of atoms in zinc single crystals. A case of high anisotropic extinction

Rossmanith¹

1977

Acta Cryst Sect A

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The thermal parameters of Zn have been refined by the use of Bragg reflexions measured with Mo Ke and Cu Ke radiation for one temperature only. Several models of the anisotropic extinction correction have been examined. It is shown that the use of the extinction correction strongly influences the values of the thermal parameters. These parameters are however only slightly affected by the choice of extinction correction model. The programs LINEX 74 and ORXFLS3 were used for refinement, the latter in a version modified by the author. The best fit was obtained by using the LINEX 74 type I model with a Lorentzian distribution of the mosaic spread and the Thornley-Nelmes model for the ellipsoid of the anisotropic mosaic spread. The result for the root-mean-square displacement was u, = 0-098 _ 0-001 A (Mo Ke radiation), Ua=0"102_0"006 A (Cu Ke radiation) in the a direction of the lattice and uc=0-161 __+ 0.004 .~, (for both radiations) in the c direction. These results are in good agreement with those of Skelton & Katz [Phys. Rev. (1968), 171, 801-808-], measured in a temperature range from 4-85 to 600 K.

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Section: Methodsmentioning

confidence: 99%

X-ray measurement of the root-mean-square displacement of atoms in zinc single crystals. A case of high anisotropic extinction

Rossmanith¹

1977

Acta Cryst Sect A

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“…Under compression the c/a ratio decreases continuously [1][2][3][4][5][6][7] and in some x-ray-diffraction studies 1,5,6 an anomaly associated with a change in slope of c/a with pressure was observed around 9-10 GPa corresponding to a relative volume V/V 0 ϭ0.886 according to Ref. 6.…”

Section: Introductionmentioning

confidence: 99%

Pressure shift of the zone-center TO mode of Zn

et al. 2000

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The pressure dependence of the transverse-optical zone-center phonon mode of Zn was measured by means of Raman spectroscopy up to 58 GPa at room temperature. The frequency increases under pressure and no anomaly is observed in the pressure range around 10 GPa where electronic topological transitions are expected to occur, and where also ab initio ''frozen phonon'' calculations predict a weak anomaly in the c/a ratio. The relatively large value of the mode Grüneisen parameter ␥ i ϭϪd ln i /d ln V and its strong decrease under pressure are related to the high compressional anisotropy at ambient pressure and the gradual anisotropic → isotropic transition occurring with increasing pressure in Zn, respectively. An irregularity is observed in the pressure dependence of the line width around 10 GPa which may be related to changes in the phonon-phonon and electron-phonon interactions that could be a consequence of the electronic topological transitions.

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“…Although the electronic and lattice properties of Zn and Cd have been studied for many years, recent publications by Takemura [75] on Zn in high-pressure powder Xray diffraction experiments (at room temperature) and by Potzel et al [76,77] on 67 Zn Mössbauer studies (at 4.2 K) have renewed interest in these metals, and seem to resolve the question of the anomalous lattice properties of Zn under hydrostatic pressure. The earlier studies by Lynch and Drickamer [78], which found a nonmonotonic pressure dependence of the c/a ratio in Zn and Cd, are contradicted by more recent results by Schlute et al [79], where c/a did not show such a behavior. Takemura [75] has shown that the volume dependence of c/a in Zn changes its slope at V/V 0 = 0.893 (P = 9.1 GPa), while Potzel et al [76] found a drastic drop (by a factor of 2) of the Lamb-Mössbauer factor, indicating a drastic softening of low-frequency acoustic and optical phonons at V/V 0 ≈ 0.915 (P = 6.6 GPa).…”

Section: Hexagonal Close-packed Zinc Under Pressurementioning

confidence: 83%

Electronic structure of materials under pressure

Christensen

Novikov

2000

Int. J. Quant. Chem.

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Parameter-free calculations based on the density-functional theory are used to examine high-pressure phases of solids. For the elemental semiconductors, as represented by Si, the high-pressure phases are examined in some detail, and particular attention is paid to the Si(VI)orthorhombic (Cmca) structure which was resolved only very recently. For III-V semiconductors the optimization of the structural parameters of the Cmcm and Imm2 phases is described. The structural energy differences are in several cases very small, and in some cases too small to allow a safe structure prediction on the basis of the calculations. In that context we also discuss ways to go beyond the local density approximation (LDA). We show that the predicted high-pressure phases may be significantly affected by inclusion of (generalized) gradient corrections (GGA). Elemental Zn (hcp) is further taken as an example where we find that the simple LDA leads to poor results for the equilibrium volume and axial ratio (c/a). Introducing corrections, for example by GGA, it is, however, possible to achieve an accuracy that allows a study of the structural changes of Zn (and Cd) under pressure and analysis of these changes in terms of electronic topological transitions.

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The effect of pressure on the resistance and lattice parameters of cadmium and zinc

Cited by 89 publications

References 8 publications

X-ray measurement of the root-mean-square displacement of atoms in zinc single crystals. A case of high anisotropic extinction

X-ray measurement of the root-mean-square displacement of atoms in zinc single crystals. A case of high anisotropic extinction

Pressure shift of the zone-center TO mode of Zn

Electronic structure of materials under pressure

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