Spin-crossover molecule based thermoelectric junction

Ghosh, Dibyajyoti and Parida, Prakash and Pati, Swapan K. (2015) Spin-crossover molecule based thermoelectric junction. APPLIED PHYSICS LETTERS, 106 (19): 193105. ISSN 0003-6951, 1077-3118

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Abstract

Using ab-initio numerical methods, we explore the spin-dependent transport and thermoelectric properties of a spin-crossover molecule (i.e., iron complex of 2-(1H-pyrazol-1-yl)-6-(1H-tetrazole-5-yl) pyridine) based nano-junction. We demonstrate a large magnetoresistance, efficient conductance-switching, and spin-filter activity in this molecule-based two-terminal device. The spin-crossover process also modulates the thermoelectric entities. It can efficiently switch the magnitude as well as spin-polarization of the thermocurrent. We find that thermocurrent is changed by similar to 4 orders of magnitude upon spin-crossover. Moreover, it also substantially affects the thermo-power and consequently, the device shows extremely efficient spin-crossover magnetothermopower generation. Furthermore, by tuning the chemical potential of electrodes into a certain range, a pure spin-thermopower can be achieved for the high-spin state. Finally, the reasonably large values of figure-of-merit in the presence and absence of phonon demonstrate a large heat-to-voltage conversion efficiency of the device. We believe that our study will pave an alternative way of tuning the transport and thermoelectric properties through the spin-crossover process and can have potential applications in generation of spin-dependent current, information storage, and processing. (C) 2015 AIP Publishing LLC.

Item Type: Article
Uncontrolled Keywords: SINGLE-MOLECULE; IRON(II) COMPLEX; CONDUCTANCE; SPINTRONICS; TRANSPORT; DENSITY; VALVES; WIRES; TEMPERATURE; THERMOPOWER;
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Milena Grifoni
Depositing User: Dr. Gernot Deinzer
Date Deposited: 18 Jul 2019 08:49
Last Modified: 18 Jul 2019 08:49
URI: https://pred.uni-regensburg.de/id/eprint/5507

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