Ideal Spintronics in Molecule-Based Novel Organometallic Nanowires.

Qilong Sun,Yandong Ma,Baibiao Huang,Wei Wei,Ying Dai,Lin Yu

doi:10.1038/srep12772

Qilong Sun, Yandong Ma + Show 4 more

Open Access

https://doi.org/10.1038/srep12772

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Journal: Scientific Reports	Publication Date: Aug 4, 2015
Citations: 13	License type: CC BY 4.0

Affiliation: Shandong University, Constructor University

Abstract

With the purpose of searching for new intriguing nanomaterial for spintronics, a series of novel metalloporphyrin nanowires (M-PPNW, M = Cr, Mn, Fe, Co, Ni, Cu and Zn) and hybrid nanowires fabricated by metalloporphyrin and metal-phthalocyanine (M-PCNW) are systematically investigated by means of first-principles calculations. Our results indicate that the transition metal atoms (TMs) embedded in the frameworks distribute regularly and separately, without any trend to form clusters, thus leading to the ideally ordered spin distribution. Except for the cases embedded with Ni and Zn, the others are spin-polarized. Remarkably, the Mn-PPNW, Mn-PCNW, MnCu-PPNW, MnCr-PCNW, and MnCu-PCNW frameworks all favor the long-ranged ferromagnetic spin ordering and display half-metallic nature, which are of greatest interest and importance for electronics and spintronics. The predicted Curie temperature for the Mn-PCNW is about 150 K. In addition, it is found that the discrepancy in magnetic coupling for these materials is related to the competition mechanisms of through-bond and through-space exchange interactions. In the present work, we propose not only two novel sets of 1D frameworks with appealing magnetic properties, but also a new strategy in obtaining the half-metallic materials by the combination of different neighboring TMs.

Highlights

On the other hand, with the trend toward miniaturization in spintronics, low dimensional materials have been considered to be the best solutions since graphene was first fabricated in 200411,12
Since the Mn atom is identified to be a viable candidate for achieving excellent materials used in spintronics in many other researches[10,26,28,29], subsequently, we explore the configurations of M1 (Mn) and M2 (Cr, Fe, Co, and Cu) in the same 1D nanowires, while the corresponding frameworks are referred as M1M2-PPNW and M1M2-PCNW
In contrast to the current focused organic metallic low dimensional materials used in spintronic devices, we provide a blueprint for the design of a stable variety of molecular wires

Summary

Introduction

With the trend toward miniaturization in spintronics, low dimensional materials have been considered to be the best solutions since graphene was first fabricated in 200411,12. We systematically discuss the electronic and magnetic properties of 1D M-PPNW and M-PCNW molecular wires based on their ground-state structures.

Results

Conclusion