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Monte Carlo Simulation of the Vacancies and Thickness Effects on the Magnetic Behavior of La Ca MnO Thin Films

机译:La Ca MnO薄膜的空位和厚度对磁性的影响的蒙特卡罗模拟

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Monte Carlo simulations of La$_{0.67}$ Ca$_{0.33}$ MnO$_{3}$ thin films by using the Metropolis algorithm and a nearest neighbor classical Heisenberg model were carried out. Films were simulated by considering system sizes of $L times L times d$ magnetic ions, being $d$ the film thickness, which was varied, and $L$ the linear dimension of the basal plane, which was kept fixed at a high enough value. In the simulation we have differentiated three types of ions, namely Mn$^{4+ d3}$, Mn$^{3+e{rm g}}$ , and Mn$^{3+e{rm g}'}$ with their corresponding coupling constants. Hence, the effect of substituting Mn ions by vacancies upon the magnetic properties of the films was addressed. Magnetization, magnetic susceptibility, and specific heat curves as a function of temperature were obtained. Results indicate that the paramagnetic to ferromagnetic transition temperature $T_{c}$ increases until reaching the value reported for the bulk material (${sim}$ 260 K) as the film thickness increases above 9 magnetic unit cells. Moreover, as the vacancies percentage increases, $T_{c}$ exhibits a linear decrease without depending of the sample thickness; this is caused by the decrease in the magnetic -nonds density.
机译:利用Metropolis算法和最近的经典Heisenberg模型对La $ _ {0.67} $ Ca $ _ {0.33} $ MnO $ _ {3} $薄膜进行了蒙特卡罗模拟。通过考虑以下因素对薄膜进行模拟:系统尺寸为$ L乘以L乘以d $磁离子,即薄膜厚度为d $,薄膜厚度有所变化,而底面的线性尺寸为$ L $,并保持足够高值。在模拟中,我们区分了三种类型的离子,即Mn $ ^ {4+ d3} $,Mn $ ^ {3 + e {rm g}} $和Mn $ ^ {3 + e {rm g}'} $及其相应的耦合常数。因此,解决了通过空位代替Mn离子对膜的磁性的影响。获得了磁化,磁化率和比热曲线随温度变化的函数。结果表明,当膜厚度增加到9个磁性晶胞以上时,顺磁性到铁磁性的转变温度$ T_ {c} $一直增加直到达到报告的散装材料的值($ {sim} $ 260 K)。此外,随着空位百分比的增加,$ T_ {c} $呈现出线性下降,而与样品厚度无关。这是由于磁能密度的降低引起的。

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