Tuning Magnetic Properties with Pressure in Hybrid Organic鈥揑norganic Materials: The Case of Copper Hydroxide Acetate

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• 作者：Fan Yang ; Carlo Massobrio ; Mauro Boero
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：August 14, 2014
• 年：2014
• 卷：118
• 期：32
• 页码：18700-18705
• 全文大小：322K
• ISSN：1932-7455

文摘

The magnetic response and related spin topology of the hybrid organic鈥搃norganic material copper hydroxide acetate Cu₂(OH)₃(CH₃COO)路H₂O are studied as a function of an applied external pressure within first-principles approaches. We show that structural changes induced by high pressure affect the Cu鈥揙鈥揅u angles, particularly when the bridging O atom belongs to the CH₃COO chains, with a sharp transition occurring above 2.75 GPa. These geometrical modifications are responsible for a transition from an antiferromagnetic (at the ambient pressure ground state) to a ferromagnetic state at high pressure (7 GPa). Our results are in agreement with the experimental outcome. They provide a guideline for applications of these composite systems in nanoelectronics and disclose new frontiers in the design of memory devices based on this family of hybrid lamellar materials.