Colossal Density-Driven Resistance Response in the Negative Charge Transfer Insulator MnS_{2}.

Autor: Durkee D; Department of Physics & Astronomy, University of Nevada Las Vegas, Las Vegas, Nevada 89154, USA., Dasenbrock-Gammon N; Department of Physics & Astronomy, University of Rochester, Rochester, New York 14627, USA., Smith GA; Department of Chemistry & Biochemistry, University of Nevada Las Vegas, Las Vegas, Nevada 89154, USA., Snider E; Department of Mechanical Engineering, University of Rochester, Rochester, New York 14627, USA., Smith D; Department of Physics & Astronomy, University of Nevada Las Vegas, Las Vegas, Nevada 89154, USA.; HPCAT, X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA., Childs C; Department of Physics & Astronomy, University of Nevada Las Vegas, Las Vegas, Nevada 89154, USA., Kimber SAJ; Université Bourgogne Franche-Comté, Université de Bourgogne, ICB-Laboratoire Interdisciplinaire Carnot de Bourgogne, Bâtiment Sciences Mirande, 9 Avenue Alain Savary, B-P. 47870, 21078 Dijon Cedex, France., Lawler KV; Department of Chemistry & Biochemistry, University of Nevada Las Vegas, Las Vegas, Nevada 89154, USA., Dias RP; Department of Physics & Astronomy, University of Rochester, Rochester, New York 14627, USA.; Department of Mechanical Engineering, University of Rochester, Rochester, New York 14627, USA., Salamat A; Department of Physics & Astronomy, University of Nevada Las Vegas, Las Vegas, Nevada 89154, USA.
Jazyk: angličtina
Zdroj: Physical review letters [Phys Rev Lett] 2021 Jul 02; Vol. 127 (1), pp. 016401.
DOI: 10.1103/PhysRevLett.127.016401
Abstrakt: A reversible density driven insulator to metal to insulator transition in high-spin MnS_{2} is experimentally observed, leading with a colossal electrical resistance drop of 10^{8}  Ω by 12 GPa. Density functional theory simulations reveal the metallization to be unexpectedly driven by previously unoccupied S_{2}^{2-} σ_{3p}^{*} antibonding states crossing the Fermi level. This is a unique variant of the charge transfer insulator to metal transition for negative charge transfer insulators having anions with an unsaturated valence. By 36 GPa the emergence of the low-spin insulating arsenopyrite (P2_{1}/c) is confirmed, and the bulk metallicity is broken with the system returning to an insulative electronic state.
Databáze: MEDLINE