Molybdenum ditelluride can be a semiconductor or a metal depending on how its atoms are arranged, and the energy difference between the two arrangements is small enough to switch with heat, strain or a laser – so metal contacts and semiconductor channels can be patterned into the same sheet. Twisted bilayers of the semiconducting form produced the first fractional quantum anomalous Hall effect, in 2023.
Crystal structure
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They are coordination polyhedra. Only complete ones are drawn.
Three layers of semiconducting 2H-MoTe2, stacked like molybdenite: each layer is turned by 180° against the one below, so molybdenum sits over tellurium, and every second layer repeats. c = 13.96 Å. Cell from Puotinen and Newnham, Acta Crystallographica 14, 691 (1961); COD 2310465.
Three layers of 1T′-MoTe2 (also called β), the form stable at room temperature, seen along the molybdenum chains. Its layer is octahedral but distorted: the molybdenum atoms pair up into zigzag chains. Each layer is turned by 180° against the one below and slides across the chains, so c leans away from the layers (β = 93.9°): 6.91 Å between layers. This stack has an inversion centre. Layer and cell from Brown, Acta Crystallographica 20, 268 (1966); COD 2310356.
Three layers of Td-MoTe2, the form 1T′ turns into below about 250 K, seen along the molybdenum chains. The layers slide so that every second layer sits straight above the first, and c stands upright: 13.86 Å at 100 K. The Td stack has no inversion centre, which makes MoTe2 a candidate type-II Weyl semimetal. Drawn with the 1T′ layer, leaving out the small shifts inside each layer at the transition. Stacking of Td-WTe2 (space group Pmn21, which Td-MoTe2 shares), fitted to the 1T′ layer; c at 100 K from Tamai and colleagues, Physical Review X 6, 031021 (2016).
Mo
Te
Cell
Hexagonal, a = 3.52 Å
Atoms per cell
3
Mo–Te bond
2.68 Å
Height
3.49 Å between the outer atom centres
The same trigonal-prismatic sandwich as MoS2, with tellurium in place of sulfur: the larger atoms stretch the lattice to 3.52 Å and make the layer 3.5 Å thick from tellurium to tellurium. MoTe2 is the member of the family whose octahedral 1T′ form is almost as stable as this one, which is why the two can be switched with strain, gating or a laser. The model shows the semiconducting phase. One layer of bulk 2H-MoTe2 (Puotinen and Newnham, Acta Crystallographica 14, 691, 1961; COD 2310465): a = 3.52 Å, tellurium planes 1.75 Å above and below the Mo plane.
Key properties
Small 2H–1T′ energy difference (tens of meV per formula unit) allows phase switching by heating, strain, gating or laser irradiation
2H monolayer optical gap ~1.1 eV – a near-infrared emitter matched to silicon photonics wavelengths
Td-MoTe2 is a candidate type-II Weyl semimetal; bulk superconductivity below ~0.1 K rises to several kelvin under pressure
Fractional quantum anomalous Hall effect in twisted bilayer 2H-MoTe2 at twist angles near 3.5–4° (2023)
How it is made
Vapour-transport or flux growth of bulk crystals; quenching favours 1T′, slow cooling favours 2H
CVD or tellurisation of Mo films, with the phase selected by tellurium supply and temperature
Laser-induced 2H → 1T′ conversion to write metallic contacts into semiconducting flakes
Uses, and how close they are
Phase-engineered ohmic contacts for 2D transistorslab
Near-infrared emitters and detectors compatible with silicon photonicslab
Topological and fractional quantum Hall physics (twisted MoTe2)lab
Readiness runs lab → prototype → pilot → deployed.
Open problems
Can 2H/1T′ phase patterning be made reproducible and stable enough for a lateral-contact technology?
What decides the competition between fractional Chern insulators, charge order and superconductivity in twisted MoTe2?
Does the topological character of Td-MoTe2 survive in few-layer samples?
Going deeper
Short notes for specialists. Choose a lens in the header and yours comes first.
For theoreticians · your lens
Near-degenerate polymorphs make total energies sensitive to functional, dispersion correction and spin–orbit coupling – check phase rankings with several methods before trusting them. In twisted 2H-MoTe2 the topmost moiré valence bands carry nonzero Chern numbers with layer-pseudospin skyrmion textures, and exact diagonalisation of projected continuum models reproduces the fractional states.
For experimentalists · your lens
Distinguish phases by Raman: 2H shows A1g near 171 cm−1 and E12g near 234 cm−1; 1T′ shows modes near 127, 161 and 256 cm−1, and the 1T′–Td transition around 250 K appears in low-frequency shear modes. Work in a glovebox.
For engineers · your lens
Attractive as a way to make contacts and channels from one material, with a band gap suited to silicon photonics, but air sensitivity and phase instability are serious obstacles to manufacturing.
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