Irreversible phase transitions of the multiferroic oxide Mn3TeO6 at high pressures

Liu, Lei (author): Uppsala universitet,Mineralogi, petrologi och tektonik,CAEP, Natl Key Lab Shock Wave & Detonat Phys, Inst Fluid Phys, Mianyang 621999, Sichuan, Peoples R China

Geng, Hua Y. (author): CAEP, Natl Key Lab Shock Wave & Detonat Phys, Inst Fluid Phys, Mianyang 621999, Sichuan, Peoples R China.

Pan, Xiaolong (author): CAEP, Natl Key Lab Shock Wave & Detonat Phys, Inst Fluid Phys, Mianyang 621999, Sichuan, Peoples R China.

Song, Hong X. (author): CAEP, Natl Key Lab Shock Wave & Detonat Phys, Inst Fluid Phys, Mianyang 621999, Sichuan, Peoples R China.

Ivanov, Sergey (author): Uppsala universitet,Fasta tillståndets fysik,Moscow MV Lomonosov State Univ, Dept Chem, Leninskie Gory 1, Moscow 119991, Russia.

Weil, Matthias (author): TU Wien, Inst Chem Technol & Analyt, Getreidemarkt 9-164 SC, A-1060 Vienna, Austria.

Li, Yanchun (author): Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China.

Li, Xiaodong (author): Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China.

Lazor, Peter (author): Uppsala universitet,Mineralogi, petrologi och tektonik

(creator_code:org_t)

American Institute of Physics (AIP), 2022
2022
English.
In: Applied Physics Letters. - : American Institute of Physics (AIP). - 0003-6951 .- 1077-3118. ; 121:4

Related links:: https://urn.kb.se/re...; show more...; https://doi.org/10.1...; show less...

Abstract Subject headings

Due to their large bandgaps, multiferroic oxides, the promising candidates for overcoming the disadvantages of metal-halide perovskites as light absorbers, have so far very limited use in solar cell applications. Previous investigations demonstrate that high pressure represents an efficient tool for tuning the bandgap of multiferroic Mn3TeO6 (MTO). However, the underlying mechanism of the giant bandgap reduction discovered in MTO remains unclear, which critically prevents the design of next-generation light absorbers. In this study, we performed in situ x-ray diffraction analyses on the structure evolution of MTO upon compression and decompression, discovering a sequence of irreversible phase transitions R(3)over bar -> C2/c -> P2(1)/n. The experimental results, supported by electronic structure calculations, show the shortening of Mn-O-Mn bonding, and, to a lower extent, the decrease in connectivity of octahedra across the phase transition, explain the giant bandgap reduction of MTO. These findings will facilitate the design and synthesis of next-generation light absorbers in solar cells.

By the author/editor: Liu, Lei; Geng, Hua Y.; Pan, Xiaolong; Song, Hong X.; Ivanov, Sergey; Mathieu, Roland; show more...; Weil, Matthias; Li, Yanchun; Li, Xiaodong; Lazor, Peter; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Chemical Science ...; and Physical Chemist ...

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