Langmuir : the ACS journal of surfaces and colloids
Pressure-Induced Antiferromagnetic to Nonmagnetic Phase Transition in a Heptacene Junction.
Hui-Qing Zhang, Jing-Tao Li, Han Ma, Xiao-Bei Zhang, Guang-Ping Zhang, Junfeng Ren, Shuai Qiu, Gui-Chao Hu
Published: 202610.1021/acs.langmuir.5c05649
Abstract
Based on the first-principles method, the effect of pressure on the magnetism of heptacene molecules is investigated in a molecular junction. The results reveal an antiferromagnetic-nonmagnetic phase transition of heptacene during mechanical compress…
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