The transition metal dichalcogenides are about 60 in number. Two-thirds of these assume layer structures. Crystals of such materials can be cleaved down to less than 1000 A and are then transparent in the region of direct band-to-band transitions. The transmission spectra of the family have been correlated group by group with the wide range of electrical and structural data available to yield useful working band models that are in accord with a molecular orbital approach. Several special topics have arisen; these include exciton screening, d-band formation, and the metal/insulator transition; also magnetism and superconductivity in such compounds. High pressure work seems to offer the possibility for testing the recent theory of excitonic insulators.

The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties

Crystal chemistry of the chalcogenides and pnictides of the transition elements

Rare-earth transition-metal chalcogenides.

A serial of two-dimensional titanium and zirconium trichalcogenides nanosheets MX3 (M = Ti, Zr; X = S, Se, Te) were investigated based on first-principles calculations. The evaluated low cleavage energy indicates that stable two-dimensional monolayers can be exfoliated from their bulk crystals in the experiment. Electronic studies reveal the very rich electronic properties in these monolayers, including metallic TiTe3 and ZrTe3, direct band gap semiconductor, TiS3, and indirect band gap semiconductors, TiSe3, ZrS3 and ZrSe3. The band gaps of all the semiconductors are between 0.57 and 1.90 eV, which implies their potential applications in nano-electronics. In addition, the calculated effective masses demonstrate the highly anisotropic conduction properties for all the semiconductors. Optically, TiS3 and TiSe3 monolayers exhibit good light absorption in the visible and near-infrared region, respectively, indicating their potential applications in optical devices. In particular, the highly anisotropic optical absorption of the TiS3 monolayer suggests it could be used in designing nano-optical waveguide polarizers.

Single layer of MX3 (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics

Single crystals of transition metal trichalcogenides

Mittels Drehkristall- und WEISSENBERG-Aufnahmen werden die Abmessungen der Elementarzelle und die Ebenenstatistik bestimmt. Die monokline Zelle mit der wahrscheinlichen Raumgruppe P 21/m besitzt folgende Gitterkonstanten: 






Die rontgenographische Dichte ist ∥r = 5,70 gcm−3. In der Zelle sind 2 Formeleinheiten ZrSe3 enthalten. An Hand von PATTERSON- und FOURIER-Projektionen werden die Koordinaten der Atome ermittelt: 






. Zirkontriselenid bildet ein Schichtengitter, das leicht zu Verzwillingungen neigt. Die Struktur wird eingehend beschrieben. Eine Moglichkeit des Entstehens der Zwillinge wird diskutiert.



The unit cell of ZrSe3 and the statistics of the reflections are determined by rotation and WEISSENBERG photographs. The monoclinic cell with the probable symmetry group P 21/m has the following lattice constants: a = 5.41, b = 3.77, c = 9.45; β = 97.5°. The density is ∥r = 5.70 gcm−3. There are 2 formula units of ZrSe3 within the cell. The atomic parameters are determined by two-dimensional PATTERSON and FOURIER syntheses (data see „Inhaltsubersicht”).



ZrSe3 forms a layer lattice. Twins are easily created. The structure and possibility of building twins are discussed.

Die Struktur des Zirkontriselenids ZrSe3

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Die Struktur des Zirkontriselenids ZrSe3