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1

Electronic Structure of KMgH_{3}, KMgH_{2}F, KMgF_{3} with the Perovskite Structure

100%

Balawender R., Gupta M., Orgaz E., Komorowski L.

Acta Physica Polonica A

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1995

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vol. 88

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issue 6

1133-1141

EN

The electronic structures of fluoroperovskite KMgF_{3}, hydridoperovskite KMgH_{3} and the dihydrido-fluoro derivated KΜgH_{2}F have been investigated. The energy bands, density of electronic states and partial wave analysis of the density of electronic states have been determined by means of the non-self-consistent augmented plane wave method with the von Barth-Hedin parametrization for the exchange-correlation term. Our results indicate that all three compounds are ionic insulators. Replacing the hydrogen atom by fluorine atom leads to increasing in the energy gap.

2

Study of Mo-Ni Alloys by X-Ray Spectroscopies

80%

Ławniczak-Jabłońska K., Heinonen M., Inoue J., Tohyama T.

Acta Physica Polonica A

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1993

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vol. 83

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issue 1

115-124

EN

Band structure investigations of the random MoNi_{4} and MoNi_{3} alloys, performed by emission and photoelectron spectroscopy, is reported. The X-ray emission and X-ray photoelectron spectra allowed to study the occupied valence band states below Fermi level. These techniques gave the full description of changes in the density of valence electron states distribution due to substitution of Mo atoms into the fcc Ni lattice up to 25 at%. The analysis of the emission and photoelectron spectra led to clear distinction between the changes in spectra caused by density of states structure and by additional effects involved in creation of the particular spectra. The experimental data are compared with the density of states calculated using coherent potential approximation and linear muffin-tin orbital methods.

3

Electronic Structure of Zinc-Blende Zn_{0.5}V_{0.5}Se: Theoretical Study

80%

Markowski R., Hołda A., Dębowska D., Kisiel A., Zimnal-Starnawska M., Piacentini M., Zema N., Lama F.

Acta Physica Polonica A

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1995

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vol. 88

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issue 5

1023-1027

EN

In this paper we present a comprehensive study of electronic structure of Zn_{0.5}V_{0.5}Se from the theoretical point of view. Partial and total density of states for spin-polarized antiferromagnetic phase of Zn_{0.5}V_{0.5}Se as well as schematic layouts of the bands have been obtained using the ab initio self-consistent semirelativistic linear muffin-tin orbital method.

4

Electronic Structure of Zinc-Blende Zn_{0.5}Co_{0.5}Se: Theoretical Study

80%

Hołda A., Markowski R., Dębowska D., Kisiel A., Zimnal-Starnawska M., Piacentini M., Zema N., Lama F.

Acta Physica Polonica A

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1996

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vol. 90

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issue 4

817-820

EN

In this paper we present partial densities of states for spin-polarized antiferromagnetic phase of Zn_{0.5}Co_{0.5}Se as well as schematic layouts of the bands, obtained using the ab initio self-consistent semi-relativistic linear muffin tin orbital method. We also present, from theoretical point of view, the analysis of influence of the transition metal cobalt on the electronic structure of a pure ZnSe.

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4 Acta Physica Polonica A

1 1996

2 1995

1 1993

2 Dębowska D.

2 Hołda A.

2 Kisiel A.

2 Lama F.

2 Markowski R.

2 Piacentini M.

2 Zema N.

2 Zimnal-Starnawska M.

1 Balawender R.

1 Gupta M.

1 Heinonen M.

1 Inoue J.

1 Komorowski L.

1 Orgaz E.

1 Tohyama T.

1 Ławniczak-Jabłońska K.

Electronic Structure of KMgH_{3}, KMgH_{2}F, KMgF_{3} with the Perovskite Structure

Study of Mo-Ni Alloys by X-Ray Spectroscopies

Electronic Structure of Zinc-Blende Zn_{0.5}V_{0.5}Se: Theoretical Study

Electronic Structure of Zinc-Blende Zn_{0.5}Co_{0.5}Se: Theoretical Study