金属二氯化物XCl $_{2}$（X：Fe，Co，Ni）的载流子诱导相变
Carrier-induced Phase Transition in Metal Dichlorides XCl$_{2}$ (X: Fe, Co, and Ni)
摘要：
利用推广的Bloch定理研究了单层1 T-XCl $_{2}$（X：Fe，Co，Ni）的基态，它可以产生铁磁态、螺旋态和反铁磁态.每个态用一个唯一的螺旋矢量来表示，该矢量将磁原子的磁矩排列在原胞中。发现FeCl $_{2}$和NiCl $_{2}$的基态为铁磁基态，而CoCl $_{2}$的基态为螺旋基态.我们还发现，基态敏感地依赖于晶格常数。当考虑空穴-电子掺杂时，我们发现所有系统都存在相变，其中涉及铁磁、螺旋和反铁磁状态。由于在单层金属二氯化物的自旋-自旋相互作用的直接交换和超交换之间的竞争的影响，我们证明，载流子浓度决定的相互作用应该占主导地位。
英文摘要：
We investigated the ground state of monolayer 1T-XCl$_{2}$ (X: Fe, Co, and Ni) using the generalized Bloch theorem, which can generate ferromagnetic, spiral, and antiferromagnetic states. Each state was represented by a unique spiral vector that arranges the magnetic moment of magnetic atom in the primitive unit cell. We found the ferromagnetic ground state for the FeCl$_{2}$ and NiCl$_{2}$ while the spiral ground state appears for the CoCl$_{2}$. We also showed that the ground state depends sensitively on the lattice constant. When the hole-electron doping was taken into account, we found the phase transition, which involves the ferromagnetic, spiral, and antiferromagnetic states, for all the systems. Since the spin-spin interaction in the monolayer metal dichlorides is influenced by the competition between the direct exchange and the superexchange, we justify that the carrier concentration determines which interaction should dominate.
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