DataVXACS NanoPaper
journal article·2019-09-24Open access

Temperature Driven Phase Transition at the Antimonene/Bi2Se3 van der Waals Heterostructure

Conor Hogan, Kris Holtgrewe, Fabio Ronci, Stefano Colonna, Simone Sanna, Paolo Moras, Polina M. Sheverdyaeva, Sanjoy Mahatha, Marco Papagno, Ziya S. Aliev, Mahammad Babanly, Evgeni V. Chulkov, Carlo Carbone, Roberto Flammini

ACS Nano· Volume 13· Issue 9
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Source abstract

Abstract

We report the discovery of a temperature-induced phase transition between the α and β structures of antimonene. When antimony is deposited at room temperature on bismuth selenide, it forms domains of α-antimonene having different orientations with respect to the substrate. During a mild annealing, the β phase grows and prevails over the α phase, eventually forming a single domain that perfectly matches the surface lattice structure of bismuth selenide. First-principles thermodynamics calculations of this van der Waals heterostructure explain the different temperature-dependent stability of the two phases and reveal a minimum energy transition path. Although the formation energies of freestanding α- and β-antimonene only slightly differ, the β phase is ultimately favored in the annealed heterostructure due to an increased interaction with the substrate mediated by the perfect lattice match.
Source: openalex_inverted_index · Quality: baseline

Research context

Materials processing

OpenAlex topics: 2D Materials and Applications · Advanced Thermoelectric Materials and Devices · Topological Materials and Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Istituto di Struttura della Materia-CNR (ISM-CNR), Via del Fosso del Cavaliere, 00133 Roma, Italy

Dipartimento di Fisica, Università di Roma “Tor Vergata”, Via della Ricerca Scientifica 1, 00133 Roma, Italy

Institut für Theoretische Physik and Center for Materials Research, Justus-Liebig-Universität Gießen, Heinrich-Buff-Ring 16, 35392 Gießen, Germany

Istituto di Struttura della Materia-CNR (ISM-CNR), S.S. 14, km 163.5, I-34149 Trieste, Italy

Dipartimento di Fisica, Università della Calabria, Via P.Bucci, 87036 Arcavacata di Rende (CS), Italy

Azerbaijan State Oil and Industry University, AZ1010 Baku, Azerbaijan

Institute of Catalysis and Inorganic Chemistry, Azerbaijan National Academy of Science, AZ1143 Baku, Azerbaijan

Departamento de Física de Materiales, Facultad de Ciencias Químicas, UPV/EHU, and Centro de Física de Materiales, CFM-MPC, CSIC-UPV/EHU, Apdo. 1072, 20080 San Sebástian/Donostia, Basque Country, Spain

Saint Petersburg State University, 198504 Saint Petersburg, Russia

Donostia International Physics Center (DIPC), P. de Manuel Lardizabal 4, 20018 San Sebastián, Basque Country, Spain

Funding

Deutsche Forschungsgemeinschaft · Saint Petersburg State University

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