Low-Temperature Magnetocaloric Properties of V12 Polyoxovanadate Molecular Magnet: A Theoretical Study

The paper presents a computational study of the magnetocaloric properties of the V12 polyoxovanadate molecular magnet. The description is restricted to low-temperature range (below approximately 100 K), where the magnetic properties of the system in question can be sufficiently modelled by consideri...

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Bibliographic Details
Main Author: Karol Szałowski
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/13/19/4399
Description
Summary:The paper presents a computational study of the magnetocaloric properties of the V12 polyoxovanadate molecular magnet. The description is restricted to low-temperature range (below approximately 100 K), where the magnetic properties of the system in question can be sufficiently modelled by considering a tetramer that consists of four vanadium ions with spins <inline-formula><math display="inline"><semantics><mrow><mi>S</mi><mo>=</mo><mn>1</mn><mo>/</mo><mn>2</mn></mrow></semantics></math></inline-formula>. The discussion is focused on the magnetocaloric effect in the cryogenic range. The exact and numerical diagonalization of the corresponding Hamiltonian is used in order to construct the thermodynamic description within a version of the canonical ensemble. The thermodynamic quantities of interest, such as magnetic entropy, specific heat, entropy change under isothermal magnetization/demagnetization, temperature change under adiabatic magnetization/demagnetization, refrigerant capacity, and magnetic Grüneisen ratio, are calculated and discussed extensively. The importance of two quantum level crossings for the described properties is emphasized. The significant ranges of direct and inverse magnetocaloric effect are predicted. In particular, the maximized inverse magnetocaloric response is found for cryogenic temperatures.
ISSN:1996-1944