铁电体\textit{x} BaTiO PDMATHAAC-（1- \textit{x}）BiCoO ${_3}$固溶体中的变磁稳定巨磁电耦合
Metamagnetism stabilized giant magnetoelectric coupling in ferroelectric \textit{x}BaTiO${_3}$-(1-\textit{x})BiCoO${_3}$ solid solution
摘要：
为了建立磁电耦合和磁不稳定性之间的相关性，我们研究了结构，磁性，研究了\textit{x}-BaTiO ${_3}$的铁电性能。（1- \textit{x}）BiCoO ${_3}$作为BaTiO $_3$浓度的函数（$x$）发现$G-$型反铁磁有序对于$x<$ 0.45在能量上是有利的，并且更高的浓度稳定，美国。我们观察到与顺电铁电过渡的函数的体积和$x$使用同步辐射衍射和计算研究，表明强磁电耦合的变磁自旋态转变。具体地，对于$x=$ 0.33组合物，当体积被压缩到低于5%时，发生压力诱导的高自旋（HS）到低自旋（LS）的转变。我们的轨道$-$投影态密度显示在$x<$ 0.45的铁电基态中Co $^{3+}$的HS态，并且相应的顺电相由于LS态的稳定性而稳定在π态中，这从我们固定的$-$自旋$-$矩计算和磁性测量中显而易见。高值的自发铁电极化预测较低的$x$值，这与$x$相反，因为减少的四方性（$c/a$）与$x$的增加。此外，我们发现，HS $-$ LS转变点和磁电耦合强度可以通过$x$改变。
英文摘要：
In order to establish the correlation between the magnetoelectric coupling and magnetic instability, we have studied the structural, magnetic, and ferroelectric properties of \textit{x}BaTiO${_3}$-(1-\textit{x})BiCoO${_3}$ as a function of BaTiO$_3$ concentration ($x$) and volume.The $G-$type antiferromagnetic ordering is found to be energetically favorable for $x<$ 0.45 and higher concentrations stabilize with nonmagnetic states. We observe metamagnetic spin state transitions associated with paraelectric to ferrolectric transitions as a function of volume and $x$ using synchrotron diffraction and computational studies, indicating a strong magnetoelectric coupling. Specifically for $x=$ 0.33 composition, a pressure induced high spin (HS) to low spin (LS) transition occurs when the volume is compressed below 5\%. Our orbital$-$projected density of states show a HS state for Co$^{3+}$ in the ferroelectric ground state for $x<$ 0.45 and the corresponding paraelectric phase is stable in the nonmagnetic state due to the stabilization of LS state as evident from our fixed$-$spin$-$moment calculations and magnetic measurements. High values of spontaneous ferroelectric polarizations are predicted for lower $x$ values which inversely vary with $x$ because of the reduction of tetragonality ($c/a$) with increase in $x$. Moreover, we find that the HS$-$LS transition point and magnetoelectric coupling strength can be varied by $x$.
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