A plane-wave pseudopotential study on III V zinc-blende and wurtzite semiconductors under pressure

The equilibrium crystal structure, band structure, density of states, bulk modulus and its first pressure derivate of CdTe are systemically calculated by first-principles plane-wave pseudo-potential method, and then compared with experimental results. Applying the vibrational Debye-like model, complete sets of isochoric heat capacities can be obtained up to 1000K at pressure or not. With the temperature increasing from 0 to 1000K, a sharp increase in the heat capacity is observed. Moreover, the dependences between cell volume and pressure are also successfully obtained. Our calculated results are in agreement with available results.

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Non-Muffin-Tin Augmented-Plane-Wave Method for Diamond and Zinc-Blende Lattices

Physical Review B ◽

10.1103/physrevb.4.1917 ◽

1971 ◽

Vol 4 (6) ◽

pp. 1917-1925 ◽

Cited By ~ 26

Author(s):

E. O. Kane

Keyword(s):

Plane Wave ◽

Wave Method ◽

Augmented Plane Wave ◽

Plane Wave Method ◽

Zinc Blende ◽

Augmented Plane Wave Method

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First-principles studies of orbital and spin-orbit properties of GaAs, GaSb, InAs, and InSb zinc-blende and wurtzite semiconductors

Physical Review B ◽

10.1103/physrevb.94.165202 ◽

2016 ◽

Vol 94 (16) ◽

Cited By ~ 31

Author(s):

Martin Gmitra ◽

Jaroslav Fabian

Keyword(s):

First Principles ◽

Spin Orbit ◽

Zinc Blende ◽

Wurtzite Semiconductors

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Theory and Errors in Stereo Electron Microscopy

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100101426 ◽

1968 ◽

Vol 26 ◽

pp. 336-337

Author(s):

J. M. Pankratz

Keyword(s):

Electron Microscopy ◽

Transmission Electron Microscopy ◽

Plane Wave ◽

Focal Length ◽

Foil Thickness ◽

Points Of Interest ◽

Transmission Electron ◽

Vertical Spacing ◽

Illuminating System

It is often desirable in transmission electron microscopy to know the vertical spacing of points of interest within a specimen. However, in order to measure a stereo effect, one must have two pictures of the same area taken from different angles, and one must have also a formula for converting measured differences between corresponding points (parallax) into a height differential.Assume (a) that the impinging beam of electrons can be considered as a plane wave and (b) that the magnification is the same at the top and bottom of the specimen. The first assumption is good when the illuminating system is overfocused. The second assumption (the so-called “perspective error”) is good when the focal length is large (3 x 107Å) in relation to foil thickness (∼103 Å).

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