The two-dimensional molecular conductor $κ$-(BETS)$_2$Mn[N(CN)$_2$]$_3$ undergoes a sharp metal-to-insulator phase transition at $T_{\rm MI}\approx$ 21 K, which has been under scrutiny for many years. We have performed comprehensive infrared investigations along the three crystallographic directions as a function of temperature down to 10 K, complemented by electron spin resonance and dc-transport studies. The in-plane anisotropy of the optical conductivity is more pronounced than in any other $κ$-type BEDT-TTF or related compounds. The metal-insulator transitions affects the molecular vibrations due to the coupling to the electronic system; in addition we observe a clear splitting of the charge-sensitive vibrational modes below $T_{\rm MI}$ that evidences the presence of two distinct BETS dimers in this compound. The Mn[N(CN)$_2$]$_3^-$ layers are determined by the chain structure of the anions resulting in a rather anisotropic behavior and remarkable temperature dependence of the vibronic features. At low temperatures the ESR properties are affected by the Mn$^{2+}$ ions via $π$-$d$-coupling and antiferromagnetic ordering within the $π$-spins: The $g$-factor shifts enormously with a pronounced in-plane anisotropy that flips as the temperature decreases; the lines broaden significantly; and the spin susceptibility increases upon cooling with a kink at the phase transition.
Ambient pressure Dirac electron system in quasi-two-dimensional molecular conductor $α$-(BETS)$_2$I$_3$
研究了准二维分子导体$α$ -(BETS)$_2$ I $_3$在常压下的精确晶体结构和电子态.该分子固体的电子电阻率在$T_{MI}$ =50 K时显示出金属-绝缘体(MI)交叉。我们的X射线衍射和$^{13}$ C核磁共振实验表明,$α$ -(BETS)$_2$ I $_3$保持低于$T_{MI}$的反转对称性。第一性原理计算发现了一对各向异性的狄拉克锥在一般的k点,与费米能级的简并接触点。在这个系统中的绝缘状态的起源是一个小的能隙~2 meV的自旋轨道相互作用打开。Z $_2$拓扑不变量表明该系统是一个弱拓扑绝缘体。结果表明,$α$ -(BETS)$_2$ I $_3$是一种很有前途的研究二维Dirac电子体系的材料.
First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor $α$-(BETS)$_2$I$_3$
采用第一性原理密度泛函理论(DFT)方法研究了准二维分子导体$α$ -(BETS)$_2$ I $_3$ [= $α$ -(BEDT-TSeF)$_2$ I $_3$ ]在30 K低温下的Dirac电子.我们提供了一个紧束缚模型与分子间的转移能量从最大本地化的Wannier函数,其中相关的转移积分的数量是相对较大的,由于Se $p$轨道的离域字符评估。自旋-轨道耦合产生一个奇异的绝缘状态,间接带隙约为2毫电子伏。我们用一个靠近费米能级的狄拉克锥分析了能谱,得到了一个有效的含位势的哈密顿量,它再现了由DFT能带结构得到的能谱。
Dynamics of ethylene groups and hyperfine interactions between donor and anion molecules in $λ$-type organic conductors studied by $^{69,71}$Ga-NMR spectroscopy
ESR Investigations of the Magnetic Anisotropy in $κ$-(BETS)$_2$Mn[N(CN)$_{2}$]$_3$
Universität Stuttgart(斯图加特大学);Helmholtz-Zentrum Dresden-Rossendorf(德累斯顿-罗斯多夫亥姆霍兹中心);Federal Research Center of Problems of Chemical Physics and Medical Chemistry, Russian Academy of Sciences(俄罗斯科学院化学物理与医学化学问题联邦研究中心)
Ambient-Pressure Organic Dirac Electron State in $α$-(BETS)$_2$AuCl$_2$
Graduate School of Science and Engineering, Saitama University(埼玉大学理工学研究科);Research and Development Bureau, Saitama University(埼玉大学研发局);Institute for Solid State Physics, University of Tokyo(东京大学固体物理研究所)
$^{13}$C NMR observation of a nonmagnetic charge-ordered state in the organic conductor $κ$-(ET)$_{2}$Hg(SCN)$_{2}$Cl
University of Tokyo(东京大学);The Institute for Solid State Physics, University of Tokyo(东京大学固体物理研究所);Institute of Problems of Chemical Physics RAS(俄罗斯科学院化学物理问题研究所);The Institute for Quantum Matter and the Department of Physics and Astronomy, The Johns Hopkins University(约翰斯·霍普金斯大学量子物质研究所及物理与天文学系);Max Planck Institute for Solid State Research(马克斯·普朗克固体研究所);University of Stuttgart(斯图加特大学);Department of Advanced Materials Science, University of Tokyo(东京大学先进材料科学系)
Shubnikov-de Haas effect and Yamaji oscillations in the antiferromagnetically ordered organic superconductor k-(BETS)2FeBr4: A Fermiology study
在有机超导体$κ$ -(BETS)$_2$ FeBr $_4$中观察到了Shubnikov-De Haas效应(SdH)和角相关磁电阻振荡(AMRO)。与其同构化合物$κ-(BETS)$ _2 $FeCl$ _4 $, SdH oscillations, for fields perpendicular to the conducting planes, reveal three Fermi Surface (FS) closed orbits $ α $, $ β $, and $ γ $ whose cross sectional areas are 19.8 %, 99.9 %, and 2.4 % of the first Brillouin zone, respectively. The conduction electron effective masses were found to be: $ μ_α =(4.7 \pm 0.2)$ m$ _e $, $ μ_β =(8.0 \pm 1.0)$ m$ _e $, and $ μ_γ =(2.0 \pm 0.2)$ m$ _e $. The observation of a $ γ $ orbit is not expected from band structure calculations, $ μ_β $ is …