Results 261 to 270 of about 597,070 (307)

Semiconductor-To-Metal Transitions in Transition-Metal Compounds

Physical Review, 1967
The theory presented in a previous paper is applied to the transition-metal compounds which are known to exhibit semiconductor-to-metal transitions. In particular, the predictions of the theory are compared with the experimental results of Feinleib and Paul on ${\mathrm{V}}_{2}$${\mathrm{O}}_{3}$.
David Adler, Julius Feinleib, Harvey Brooks, William Paul   +3 more
openaire   +1 more source

Homonuclear transition-metal trimers

The Journal of Chemical Physics, 2005
Density-functional theory has been used to determine the ground-state geometries and electronic states for homonuclear transition-metal trimers constrained to equilateral triangle geometries. This represents the first application of consistent theoretical methods to all of the ten 3d block transition-metal trimers, from scandium to zinc.
Brian N, Papas, Henry F, Schaefer
openaire   +2 more sources

Electronic Transitions in Metals and Insulator-Metal Transitions

1973
In this chapter we take up transitions which change the electrical properties of metals or compounds by establishing a new ground state for the system. Changes in physical rather than chemical properties are involved in these transitions, in contrast to the events discussed in later chapters.
H. G. Drickamer, C. W. Frank
openaire   +1 more source

The transition metal hexafluorides

Dalton Transactions, 2009
The nine transition metal hexafluorides present a unique series of closely related compounds. Deviations from octahedral structures are influenced by Jahn-Teller effects and spin orbit coupling. The most pronounced chemical behaviour is the increasing electron affinity in the direction WF(6)--> PtF(6) and MoF(6)--> RuF(6), so that with PtF(6) and RuF(6)
Matthias Johann, Molski, Konrad, Seppelt
openaire   +2 more sources

The structures of transition metal-transition metal alloys

Journal of Solid State Chemistry, 1984
Abstract A structure map using the average electron count and d orbital energy difference as indices is used to sort transition metal alloys of stoichiometry AB . The gross features of the map are mimicked by tight-binding calculations. The inclusion of s orbitals on the metal atoms appear to be important in the determination of alloy structure ...
Jeremy K. Burdett, Timothy J. McLarnan
openaire   +1 more source

Transition Metal Dendrimer Catalysts

ChemInform, 2006
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Berger, A., Klein Gebbink, R.J.M., van Koten, G.   +2 more
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Density functional theory for transition metals and transition metal chemistry

Physical Chemistry Chemical Physics, 2009
We introduce density functional theory and review recent progress in its application to transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and range-separated functionals, band theory, software, validation tests, and applications to spin states, magnetic exchange coupling, spectra, structure, reactivity, and catalysis,
Christopher J, Cramer, Donald G, Truhlar
openaire   +2 more sources

Investigation of Some Transition Metal Oxides Exhibiting Metal — Non Metal Transitions

1974
Pure VO2 shows a metal — non metal transition at Tt = 340°K. The transition was studied in V1−xFexO2 for x < 0.04 by Mossbauer effect, electrical conductivity and photoelectron spectroscopy. The semimetallic phase of Fe3O4 above the Verwey transition temperature Tv = 119°K was studied by Mossbauer effect by measuring the changes in charge and spin ...
C. Blaauw, C. Boekema, F. van der Woude, G. A. Sawatzky   +3 more
openaire   +1 more source

Semiconducting transition metal oxides

Journal of Physics: Condensed Matter, 2015
Open shell transition metal oxides are usually described as Mott or charge transfer insulators, which are often viewed as being disparate from semiconductors. Based on the premise that the presence of a correlated gap and semiconductivity are not mutually exclusive, this work reviews electronic structure calculations on the binary 3d oxides, so to ...
openaire   +2 more sources

Nutritional immunity: the battle for nutrient metals at the host–pathogen interface

Nature Reviews Microbiology, 2022
Eric P Skaar
exaly