A first principles phase diagram calculation, that included van der Waals interactions, was performed for the system (1-X)$\cdot$MoS$_{2}$-(X)$\cdot$MoTe$_{2}$. Surprisingly, the predicted phase diagram has at least two ordered solid-solution phases, at $X \approx 0.46$, even though all calculated formation energies are positive, in a ground-state analysis that examined all configurations with 16 or fewer anion sites. The lower-temperature {\bf $I$}-phase is predicted to transform to a higher-temperature {\bf $I^{\prime}$}-phase at $T \approx 500K$, and {\bf $I^{\prime}$} disorders at $T \approx 730K$. Both these transitions are predicted to be first-order, and there are broad miscibility gaps on both sides of the ordered regions. Both the {\bf $I$}- and {\bf $I^{\prime}$}-phases are predicted to be incommensurate: {\bf $I$}-phase in three dimensions; and {\bf $I^{\prime}$}-phase in two dimensions.
Quantum incommensurate Skyrmion crystals and Commensurate to In-commensurate transitions in cold atoms and materials with spin orbit couplings in a Zeeman field
本文研究了二维各向异性Rashba型自旋轨道耦合(SOC)和塞曼场作用下晶格中强相互作用的旋量原子。我们发现塞曼场和SOC之间的相互作用提供了一个新的平台,主机丰富和新颖类的量子公度和非公度相位,激发和相变。这些公度相分别包括低塞曼场和高塞曼场下的两个共线态和镜反射SOC参数下的两个共面倾斜态。最重要的是,存在由4个公度相包围的非共面的非公度Skyrmion(IC-SkX)晶体相。计算了所有5个相位以上的新激发谱,特别是IC-SKX相位。三个不同类别的量子相称的不相称的过渡从IC-SKX到其4个相邻的相称的阶段被确定。有限的温度行为和转变进行了讨论。所有相的临界温度可以通过简单地调整每个位点的原子数$ N $而提高到高于当前冷原子冷却技术所能达到的温度。鉴于最近在光晶格中产生冷原子的2d SOC方面取得的令人印象深刻的实验进展,这些新的多体现象可以在当前和不久的将来的冷原子实验中探索。给出了在MnSi、Fe $_{0.5}$ Co $_{0.5}$ Si等材料中的应用,特别是Li $_2$ IrO $_3$中的复杂无公度磁序.
Pressure-Stabilized MnSb$_2$ with Complex Incommensurate Magnetic Order
Michigan State University(密歇根州立大学);Ames National Laboratory, Iowa State University(艾姆斯国家实验室,爱荷华州立大学);Iowa State University(爱荷华州立大学);Oak Ridge National Laboratory(橡树岭国家实验室)