Fe(100)–(borazine)n=1–4–Fe(100): a multifunctional spin diode with spin valve action
Literature Information
Sayantanu Koley, Sabyasachi Sen, Snehasish Saha, Swapan Chakrabarti
Herein, we report that borazine (B3N3H6), alternatively known as inorganic benzene, has the tantalizing potential to act as a multifunctional molecular spin diode with a significantly large spin valve action. The present computational foray into the multifunctionality of (B3N3H6)n=1–4 as a simultaneous spin diode and spin valve has been rationalized by the current rectification ratio with a maximum value of 34 for the tetramer and large tunneling magneto-resistance in the range of 50–100%, respectively. Remarkably, both the properties are evolved due to a single parameter, namely, the electrodes [Fe(100)] surface spin orientation induced charge density localization/delocalization in the singly occupied highest molecular orbital in the Fe(100)–(borazine)n=1–4–Fe(100) system.
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