7-11 July 2014
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=16&confId=34"><font color=#0000ff>SAIP2014 Proceedings published on 17 April 2015</font></a>

Commensurate charge density wave formation in a novel organic molecular conductor (DCNQI) and tantalum diselenide (4Hb-TaSe2) crystals

8 Jul 2014, 17:10
1h 50m
D Ring ground level

D Ring ground level

Board: C.365
Poster Presentation Track C - Photonics Poster1

Speaker

Mr Olufemi Opeyemi Olaoye (Stellenbosch University)

Apply to be<br> considered for a student <br> &nbsp; award (Yes / No)?

Yes

Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

Electron diffraction simulation models are used to investigate structural dynamics in a novel organic molecular conductor (Cu [2, 5-CD3-DCNQI]2) crystals and tantalum diselenide (4Hb-TaSe2 cystals). DCNQI crystals undergo photo-induced Peierl's phase transition from a conducting (room temperature) to an insulating phase (Tc = 73 K). A phenomenal sudden drop, in orders of magnitude, in their electric conductivity has been attributed to a periodic lattice distortion and a modulation of electron density, paving way for charge density formation in these crystals. For the first time, the formation of characteristically commensurate charge density waves satellite reflections (qCDW = 0.3333 c*), dominantly driven by the Cu-atoms' charge ordering and the cooperative Jahn-Teller distortions on DCNQI molecules, was modelled and analysed.

Tantalum diselenide (4Hb-TaSe2) crystals undergo phase transition from a metallic (T > 600 K) to an insulating (T < 600 K) phase. These crystals belong to the layered compounds of transitional metal dichalcogenides, which are famous for their gigantic magneto-resistance, rich phase diagram and polytypic nomenclature. In agreement with the existing experimental data, electron diffraction simulation shows that the phase transition ( with Tc = 410 K) in these crystals invokes the formation of hexagram clusters of commensurate charge density wave (CDW) peaks, which surround each Bragg's peak of the high temperature phase. Moreover, these commensurate CDW peaks are rotated by 13.9˚ relative to the lattice, with a wave vector given as qCDW = 0.277 a*. Two satellite reflection orders are also observed – a unique characteristic of intertwined crystals.

Level for award<br>&nbsp;(Hons, MSc, <br> &nbsp; PhD)?

PhD

Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?

No

Main supervisor (name and email)<br>and his / her institution

Professor Heinrich Schwoerer (heso@sun.ac.za); University of Stellenbosch

Primary author

Mr Olufemi Opeyemi Olaoye (Stellenbosch University)

Co-authors

Ms Andrea von Flotow (Stellenbosch University) Mr Bart Smit (Stellenbosch University) Mr Florian Huewe (University of Würzburg, Germany) Prof. Heinrich Schwoerer (Stellenbosch University) Dr Nicolas Erasmus (Stellenbosch University)

Presentation Materials

There are no materials yet.