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arXiv 1312.6392cond-mat.str-elcond-mat.mtrl-sci
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磁性phase diagram和Pb3TeCo3V2O14的第一性原理研究

Magnetic phase diagram and first principles study of Pb3TeCo3V2O14

M. M. Markina, B. V. Mill, E. A. Zvereva, A. V. Ushakov, S. V. Streltsov, A. N. Vasiliev

摘要:

Pb_3 TeCo_3V_2 O_(14)的反铁磁有序化是通过形成T ~* ~ 10.5K的短程关联区和在TN_1 = 8.9K时的二级相变和在TN_2 = 6.3K时的一级相变而实现的。外加磁场会迅速破坏T <TN 2的磁结构,并影响TN 2 < T <TN 1的磁序,从而导致由磁化强度和比热测量得到的复杂的Pb 3 TeCo 3V 2 O 14磁相图。第一性原理计算表明,与层状晶体结构不同,Pb_3 TeCo_3V_2 O_(14)的磁性子系统是准一维的,并且由弱耦合的三角形管组成。

英文摘要:

An antiferromagnetic ordering in Pb3TeCo3V2O14 takes place through formation of short range correlation regime with T* ~ 10.5 K and succession of second order phase transition at TN1 = 8.9 K and first order phase transition at TN2 = 6.3 K. An external magnetic field rapidly destroys magnetic structure at T < TN2 and influences the magnetic order at TN2 < T < TN1 resulting in complex magnetic phase diagram of Pb3TeCo3V2O14 as derived from magnetization and specific heat measurements. The first principles calculations indicate that in variance with layered crystal structure the magnetic subsystem of Pb3TeCo3V2O14 is quasi-one-dimensional and highly unusual consisting of weakly coupled triangular tubes.

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