Zobrazeno 1 - 10 of 15 pro vyhledávání: '"Lutz Dieter Künne"'
4
Die Bindungsverh�ltnisse in der Clusterverbindung CZr6I14
Autor: Lutz Dieter Künne
Publikováno v: Monatshefte f�r Chemie Chemical Monthly. 122:625-633
The electronic properties of the cluster compound CZr6I14 are discussed on the basis of EHT results. In the model cluster CZr6I184− the calculated Zr-Zr distance in the metal octahedron is enlarged by encapsulation of the interstitial C as well as
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9045c16384959572fbfc1a8c286e43ec
https://doi.org/10.1007/bf00811461
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5
SW-X?-Untersuchungen zur Bindung eines interstitiellen Fe-Atoms in einem Zr-Oktaeder
Autor: Lutz Dieter Künne, Zaki Almasri, Hans-Gerhard Fritsche
Publikováno v: Monatshefte f�r Chemie Chemical Monthly. 121:493-499
On the basis of SW-Xα results we have found that the Fe-Zr bonds in the cluster FeZr6 (Oh) are realized by the bond orbitals t2g, eg, and a1g. 97% of the charge within the Fe sphere is given by the contribution of these orbitals. Their electron dens
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aa304fc183cf3faddd63830c16af0690
https://doi.org/10.1007/bf00810856
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6
Influence of Phonons on the Calculations of the Density of States in Thin Films
Autor: Lutz Dieter Künne, J. W. Stasiak, J. Kierul
Publikováno v: physica status solidi (b). 157:229-234
The local densities of electronic states in Ni and Cu thin films are calculated including the influence of the electron–phonon interaction on the hopping integrals. The model gives the dependence of the density of states on temperature. The results
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::70481eac34d7d45895334fa2b2193450
https://doi.org/10.1002/pssb.2221570122
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10
Cluster model for interstitial hydrogen bonding in nickel
Autor: Lutz Dieter Künne, Lubomír Skála, Hans Müller, Hans-Gerhard Fritsche
Publikováno v: physica status solidi (b). 114:439-448
The CNDO, EHT, and SW-Xα methods are used to investigate tetrahedral and octahedral Ni clusters with and without the interstitial hydrogen in the center. Optimized distances between atoms, one-electron energy levels, and the bonding mechanism of hyd
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1afc5db6feca9bf17c1950197b2c31ad
https://doi.org/10.1002/pssb.2221140217
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