Electronic and magnetic properties of phosphorus across the first-order ferromagnetic transition of (Mn,Fe)_2(P,Si,B) giant magnetocaloric materials

F. Guillou; K. Ollefs; F. Wilhelm; A. Rogalev; A. N. Yaresko; H. Yibole; N. H. van Dijk; E. Brueck

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Electronic and magnetic properties of phosphorus across the first-order ferromagnetic transition of (Mn,Fe)_2(P,Si,B) giant magnetocaloric materials

机译：磷在（Mn，Fe）_2（P，Si，B）巨磁热材料一阶铁磁跃迁中的电子和磁性

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To study the evolution of the electronic states and magnetism of the metallic and metalloid atoms across the first-order ferromagnetic transition of (Mn,Fe)_2(P,Si,B) compounds, x-ray absorption (XAS) and magnetic circular dichroism (XMCD) spectra were recorded at the K edges of P, Mn, and Fe. Surprisingly, while the Fe and Mn XAS spectra do not show pronounced changes, the K-edge XAS of P is strongly modified across the ferromagnetic transition and is a fingerprint of electronic structure changes at the phase transition. The evolution of the 3p electronic states of phosphorus is linked to changes in metal-metalloid bonding. The amplitude of this effect is correlated to the discontinuity in interatomic distances at the transition and progressively disappears with boron substitution. Moreover, it is found that the P atoms carry a finite magnetic moment in the ferromagnetic state in accordance with the results of band-structure calculations.

机译：研究跨（Mn，Fe）_2（P，Si，B）化合物的一阶铁磁跃迁，X射线吸收（XAS）和磁圆二色性的金属态和准金属原子的电子态和磁性的演化（XMCD）光谱记录在P，Mn和Fe的K边缘。出人意料的是，虽然Fe和Mn XAS光谱没有显示出明显的变化，但P的K边缘XAS在整个铁磁跃迁中被强烈修饰，并且是相变时电子结构变化的指纹。磷的3p电子态的演变与金属-类金属键合的变化有关。这种效应的幅度与过渡处原子间距离的不连续性相关，并随着硼的取代而逐渐消失。此外，根据能带结构计算的结果，发现P原子在铁磁状态中携带有限的磁矩。

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《Physical review》 |2015年第22期|224427.1-224427.9|共9页
作者
F. Guillou; K. Ollefs; F. Wilhelm; A. Rogalev; A. N. Yaresko; H. Yibole; N. H. van Dijk; E. Brueck;
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作者单位

ESRF - The European Synchrotron Radiation Facility, 71 Avenue des Martyrs CS40220, F-38043 Grenoble Cedex 09, France;

ESRF - The European Synchrotron Radiation Facility, 71 Avenue des Martyrs CS40220, F-38043 Grenoble Cedex 09, France;

ESRF - The European Synchrotron Radiation Facility, 71 Avenue des Martyrs CS40220, F-38043 Grenoble Cedex 09, France;

ESRF - The European Synchrotron Radiation Facility, 71 Avenue des Martyrs CS40220, F-38043 Grenoble Cedex 09, France;

Max-Plank-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany;

FAME, TUDelft, Mekelweg 15, 2629JB Delft, The Netherlands;

FAME, TUDelft, Mekelweg 15, 2629JB Delft, The Netherlands;

FAME, TUDelft, Mekelweg 15, 2629JB Delft, The Netherlands;

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magnetocaloric effect, magnetic cooling; magnetic phase boundaries (including magnetic transitions, metamagnetism, etc.);

机译：磁热效应;磁冷却;磁相边界（包括磁跃迁;超磁性等）;

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2. Ubiquitous first-order transitions and site-selective vanishing of the magnetic moment in giant magnetocaloric MnFeSiP alloys detected by ~(55)Mn NMR [J] . Hussain R., Cugini F., Baldini S., Physical review . 2019,第10期

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5. Self-Similarity in Magnetocaloric Metamagnets with First-Order Ferro-to-Paramagnetic Phase Transition. [D] . Jin, Yi. 2013

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7. Ubiquitous first-order transitions and site-selective vanishing of the magnetic moment in giant magnetocaloric MnFeSiP alloys detected by Mn55 NMR [O] . R. Hussain, F. Cugini, S. Baldini, 2019

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Electronic and magnetic properties of phosphorus across the first-order ferromagnetic transition of (Mn,Fe)_2(P,Si,B) giant magnetocaloric materials

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