论文标题
电荷密度波转换,相图,软声子和可能的电子词素:BANI2的热力学研究(AS,P)2
Charge-density-wave transitions, phase diagram, soft phonon and possible electronic nematicity: a thermodynamic investigation of BaNi2(As,P)2
论文作者
论文摘要
提出了对BANI2的详细研究(AS,P)2使用高分辨率热膨胀,热容量,年轻模子和电阻率测量值的单晶。实验数据通过密度功能的计算补充。 BANI2(AS,P)2的相图被证明比Kudo等人的原始数据所建议的要丰富得多。 [物理。莱特牧师。 109,097002(2012)]。向相应的电荷密度波(C-CDW)的过渡始终是与强烈波动的单向不通用电荷密度波(I-CDW)的长距离排序相关的四倍打破对称性的过渡(I-CDW)。高于I-CDW和C-CDW过渡的重要前体在热膨胀和电阻率中可见,并且在晶格参数的$ C/A $比率的温度依赖性中尤为明显。较高的P含量和3.2 K的较高临界温度的晶体的热容量测量可揭示出非常低的DEBYE温度的软音量模式的Debye样行为。这些较高TC晶体的年轻模数数据在B1G和B2G通道中都表现出显着的软化,这被认为与列的关键性不相容,并且与迄今未知结构的广泛相变相关。讨论了超导临界温度随p固定的可能起源。
A detailed investigation of BaNi2(As,P)2 single crystals using high-resolution thermal-expansion, heat-capacity,Young-modulus and resistivity measurements is presented. The experimental data are complemented by density-functional calculations. The phase diagram of BaNi2(As,P)2 is shown to be much richer than suggested by the original data of Kudo et al. [Phys. Rev. Lett. 109, 097002 (2012)]. The transition to the commensurate charge-density-wave (C-CDW) is always preceded by a four-fold symmetry-breaking transition associated with the long-range ordering of a strongly fluctuating unidirectional incommensurate charge-density wave (I-CDW). Significant precursors above the I-CDW and C-CDW transitions are seen in the thermal expansion and resistivity and are particularly evident in the temperature dependence of the $c/a$ ratio of the lattice parameters. Heat-capacity measurements of the crystals with a higher P content and a higher critical temperature of 3.2 K uncover a Debye-like behavior of a soft-phonon mode with a very low Debye temperature of roughly 15 K. Associated with this soft phonon are unusually large thermal-expansion anomalies, resulting in logarithmically diverging uniaxial phonon Grueneisen parameters. Young-modulus data of these higher-Tc crystals exhibit a significant softening in both B1g and B2g channels, which is argued to be incompatible with nematic criticality and is rather associated with a broad phase transition to an hitherto unknown structure. Possible origins of the increase in the superconducting critical temperature with P-substitution are discussed.