We extend the solid-state nudged elastic band method to handle a non-conserved order parameter - in particular, magnetization, that couples to volume and leads to many observed effects in magnetic systems. We apply this formalism to the well-studied magneto-volume collapse during the pressure-induced transformation in iron - from ferromagnetic body-centered cubic (bcc) austenite to hexagonal close-packed (hcp) martensite. We find a bcc-hcp equilibrium coexistence pressure of 8.4 GPa, with the transition-state enthalpy of 156 meV/Fe at this pressure. A discontinuity in magnetization and coherent stress occurs at the transition state, which has a form of a cusp on the potential-energy surface (yet all the atomic and cell degrees of freedom are continuous); the calculated pressure jump of 25 GPa is related to the observed 25 GPa spread in measured coexistence pressures arising from martensitic and coherency stresses in samples. Our results agree with experiments, but necessarily differ from those arising from drag and restricted parametrization methods having improperly constrained or uncontrolled degrees of freedom.
Induced magneto-transport properties at palladium/yttrium iron garnet interface
由于钯（Pd）的薄层直接沉积在钇铁石榴石或YIG（Y3 Fe 5 O 12）磁性绝缘体膜上，Pd产生了低场和高场磁输运效应，这在单独的Pd或YIG上的厚Pd中是不存在的。Pd的低场磁电阻峰跟踪YIG薄膜的矫顽场，而更大的高场磁电阻和霍尔效应与YIG的体磁化强度没有明显的关系。Pd中的高场磁输运效应是由Pd中的界面局部矩引起的。
Electrically-gated laser-induced spin dynamics in magneto-electric iron garnet at room temperature
Radboud University Nijmegen（拉德堡德大学）；Institute for Molecules and Materials（分子与材料研究所）；Faculty of Physics, Lomonosov Moscow State University（莫斯科国立大学物理系）；MIREA - Russian Technological University（莫斯科信息俄罗斯国立技术大学）
Pressure-induced thermal expansion anomalies in dhcp iron hydride associated with magnetoelastic coupling
The University of Tokyo（东京大学）；Yale University（耶鲁大学）；Flatiron Institute（平顿研究所）；Center for High Pressure Science and Technology Advanced Research（高压科学与技术先进研究中心）；Pohang University of Science and Technology（浦项科技大学）；Japan Synchrotron Radiation Research Institute（日本同步辐射研究所）
Co-loading of doxorubicin and iron oxide nanocubes in polycaprolactone fibers for combining Magneto-Thermal and chemotherapeutic effects on cancer cells
Frustrated Magnetic Interactions, Giant Magneto-Elastic Coupling, and Magnetic Phonons in Iron-Pnictides
我们提出了一个详细的第一性原理研究的Fe-磷族化合物，特别强调竞争磁相互作用，结构相变，巨磁弹性耦合及其对声子的影响。对于LaOFeAs，交换相互作用$J_{i,j}(R)$的计算结果为$\approx 12 $ = $. We find that $ J_{i,j}（R）$ has an oscillatory character with an envelop decaying as $ 1/R^3 $ along the stripe-direction while it is very short range along the diagonal direction and antiferromagnetic. A brief discussion of the neutron scattering determination of these exchange constants from a single crystal sample with orthorhombic twinning is given. The lattice parameter dependence of the exchange constants, $ dJ_{i,j} /da $ are calculated for a simple spin-Peierls like model to e…
High-pressure magnetic transition in iron observed via diamond quantum sensing
The University of Tokyo（东京大学）；Graduate School of Engineering Science, The University of Osaka（大阪大学工程科学研究科）；Geodynamics Research Center, Ehime University（爱媛大学地球动力学研究中心）；Institute for Physics of Intelligence, The University of Tokyo（东京大学物理智能研究所）；Trans-scale Quantum Science Institute, The University of Tokyo（东京大学跨尺度量子科学研究所）
Compensation-Like Temperature and Spin-Flip Switch in Strained Thulium Iron Garnet Thin Films: Tuning Sublattice Interactions for Ferrimagnetic Spintronics
A First Principle Study on Magneto-Optical Effects and Magnetism in Ferromagnetic Semiconductors Y$_3$Fe$_5$O$_{12}$ and Bi$_3$Fe$_5$O$_{12}$
磁光效应不仅是研究磁性固体磁性和电子结构的有力工具，而且在高密度信息存储技术中有着重要的应用。钇铁石榴石（Y $_3$ Fe $_5$ O $_{12}$）（YIG）和铋铁石榴石（Bi $_3$ Fe $_5$ O $_{12}$）（BIG）是两种广泛应用的磁性半导体材料，具有很强的磁光效应，在基础物理研究中也引起了人们的关注。特别地，YIG已常规地用作自旋电流注入器。本文基于密度泛函理论，采用广义梯度近似和库仑排斥理论，对YIG和BIG的磁性、电子学、光学和分子轨道性质进行了深入的理论研究。我们发现，这两种半导体表现出大的MO效应，其克尔和法拉第旋转角是最知名的MO材料，如MnBi。在光子能量$\sim2.4$ eV时，BIG薄膜的MO法拉第旋转角达到-74.6 $ ^{\circ}/μm$.此外，我们还发现BIG中跨MO带隙的价带和导带都是纯自旋下降态，即，BIG是一种单自旋半导体。这些有趣的发现表明，铁石榴石在半导体MO和自旋电子纳米器件中将找到有价值的应用。计算得到的电导率谱、磁光克尔角和法拉第旋转角与实验数据吻合较好。在光学和MO光谱的两个系统的主要特点进行了分析，特别是通过确定的带态对称性和主要的光学跃迁在$Γ$点的布里渊区的计算的能带结构。
