Penta-hexa-graphene (PHG) is the name given to a novel puckered monolayer of carbon atoms tightly packed into an inerratic mixing pentagonal and hexagonal network. Theoretically, it exhibits excellent electronic properties and can be rolled into penta-hexa-graphene nanotubes (PHGNTs). By using first-principles combined with density functional theory, the PHGNTs with two types of chirality and different diameters were studied. Studies show that not only the nanotubes have intrinsic magnetic properties, but also the magnetic ground state changes with the tube diameter. Interestingly, the nanotubes exhibit semiconducting properties that do not vary with chirality in the antiferromagnetic (AFM) state. And in the ferromagnetic (FM) state, the materials realize the transitions from metal to spin gapless semiconductors (SGS), and to semiconductor with the change of tube diameter. Furthermore, first-principles calculation shows that PHGNTs exhibit diverse electronic properties when the external electrical field is applied, ranging not only from semiconductor to SGS and to metal, but also from semiconductor to half-metal and to metal. Our simulations have an impact on their possible applications in spintronic devices.

五六石墨烯（PHG）是一种新颖的皱褶单层碳原子的名称，该单层碳原子紧密堆积在不稳定的五边形和六边形混合网络中。从理论上讲，它具有出色的电子性能，可以卷成五六石墨烯纳米管（PHGNT）。通过将第一性原理与密度泛函理论相结合，研究了具有两种手性和不同直径的PHGNT。研究表明，不仅纳米管具有固有的磁性，而且磁性基态也随管直径的变化而变化。有趣的是，纳米管在反铁磁（AFM）状态下表现出不随手性变化的半导体特性。在铁磁（FM）状态下，材料实现了从金属到自旋无间隙半导体（SGS）的转变，并随着管子直径的变化而进入半导体。此外，第一性原理计算表明，当施加外部电场时，PHGNTs表现出多种电子特性，不仅从半导体到SGS和金属，而且从半导体到半金属和金属。我们的仿真对其在自旋电子设备中的可能应用产生了影响。