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Charge density wave transition in single-layer titanium diselenide.

P Chen^1,2,3, Y-H Chan⁴, X-Y Fang^1,2

¹Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801-3080, USA.

Nature Communications

|November 17, 2015

Summary

Single-layer titanium diselenide (TiSe2) shows a higher charge density wave (CDW) transition temperature than bulk material. This 2D material exhibits unique electronic properties at the quantum limit for advanced electronics.

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Area of Science:

Condensed Matter Physics
Materials Science
Nanoscience

Background:

Single-layer materials like graphene are crucial for next-generation electronics.
Two-dimensional (2D) titanium diselenide (TiSe2) is an emerging material with potential for enhanced electronic properties.
Understanding phase transitions in 2D materials is key to unlocking their electronic potential.

Purpose of the Study:

To investigate the charge density wave (CDW) transition in single-layer TiSe2.
To compare the electronic properties of single-layer TiSe2 with its bulk counterpart.
To elucidate the underlying mechanisms governing the CDW transition in 2D TiSe2.

Main Methods:

Experimental characterization using angle-resolved photoemission spectroscopy (ARPES).
Theoretical analysis employing first-principles calculations.
Investigation of temperature-dependent electronic band structure and ordering.

Main Results:

Single-layer TiSe2 exhibits a charge density wave (CDW) transition at a critical temperature (TC) of 232±5 K, higher than bulk TC (200±5 K).
A small absolute bandgap was observed at room temperature, widening as temperature decreased below TC.
Emergence of (2 × 2) ordering below TC was detected, alongside Bardeen-Cooper-Schrieffer (BCS) like gap behavior.

Conclusions:

Single-layer TiSe2 demonstrates a higher TC for its CDW transition compared to bulk, indicating unique 2D effects.
The observed BCS-like behavior suggests a mean-field CDW order in the single layer.
First-principles calculations support the findings, attributing the transition to symmetry breaking and phonon entropy effects.