Prediction of two-dimensional materials with half-metallic Dirac cones: Ni₂C₁₈H₁₂ and Co₂C₁₈H₁₂

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• 作者：Yandong Ma ; Ying Dai ; ^{daiy60@sina.com" class="auth_mail} ; Xinru Li ; Qilong Sun ; Baibiao Huang
• 刊名：Carbon
• 出版年：July, 2014
• 年：2014
• 卷：73
• 期：Complete
• 页码：382-388
• 全文大小：1659 K

文摘

Here, we demonstrate via density functional theory that low-buckled two-dimensional (2D) Co₂C₁₈H₁₂ lattice structure are spin-polarized while high-buckled 2D Co₂C₁₈H₁₂ lattice structure being spin-unpolarized. Since the separated low-buckled and high-buckled states of Co₂C₁₈H₁₂ can be viewed as two states of memory devices, transition between the two states would provide high efficiency and high sensitivity for device applications. More interestingly, we predicate that 2D Ni₂C₁₈H₁₂ lattice structure and low-buckled 2D Co₂C₁₈H₁₂ lattice structure possess amazing half-metallic Dirac point Fermi surfaces, i.e., owning Dirac points in one spin channel with Fermi level located exactly at the touching point and half-metallic simultaneously. This might lead to promising novel applications and shows an important way to extend the applications of 2D materials in spintronics devices.