Electronic Properties and Lattice Dynamics Studies of the Nickel-Based Superconductor ThNiAsN
Electronic Properties and Lattice Dynamics Studies of the Nickel-Based Superconductor ThNiAsN
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镍基超导体ThNiAsN的电子性质和晶格动力学研究
DOI：
10.1007/s10948-018-4585-z
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发表时间：
2018-02
影响因子：
1.8
通讯作者：
Chen Zhen-ping
中科院分区：
文献类型：
--
作者：
Yang Yang;Feng Shi-Quan;Lu Hong-Yan;Gu Liu-Ting;Chen Zhen-ping
我们对新发现的镍基磷灰石ThNiAsN进行了理论研究。得到的大的态密度可以解释以前实验观察到的正常态Sommerfeld系数。得到的能带结构和费米面都是二维的，在X点附近有一个小的空穴状的费米面，在M点附近有三个类电子的费米面，这与LaNiAsO有很大的相似性。同时，用密度泛函微扰理论(DFPT)研究了ThNiAsN的晶格动力学。电子-声子耦合常数为0.67，表明ThNiAsN是声子介导型超导体。最后，作为镍基超导体的原型，我们利用极大局域Wannier函数(MLWF)得到了一个有效的紧束缚模型。在此模型的基础上，利用Lindhard函数研究了名义掺杂和空穴掺杂情况下的嵌套特性。我们发现空穴掺杂将引入更好的嵌套性质，使该系统成为发展磁性和非传统超导不稳定性的潜在候选者。
We perform theoretical studies of the newly discovered nickel-based pnictide ThNiAsN. The obtained large density of states may explain the normal-state Sommerfeld coefficient observed by former experiments. The obtained band structure and Fermi surfaces are rather two-dimensional with a small hole-like Fermi surface around X point and three electron-like ones around M point, which share great similarities with LaNiAsO. Meanwhile, the lattice dynamics of ThNiAsN are also studied within density functional perturbation theory (DFPT). The electron-phonon coupling constant is 0.67, suggesting that ThNiAsN is a phonon-mediated superconductor. In the end, as a prototype of nickel-based superconductor, we obtain an effective tight-binding model by means of the maximally localized Wannier function (MLWF). Based on this model, the nesting properties have been studied using Lindhard function for nominal doping and hole doping. We find the hole doping will introduce better nesting properties, making this system a potential candidate to develop magnetic and unconventional superconducting instabilities.
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影响因子：
3.7
作者：
A. Lukoyanov;A. Lukoyanov;S. Skornyakov;S. Skornyakov;J. McLeod;Mahmoud Abu-Samak;R. Wilks;E. Kurmaev;A. Moewes;N. A. Skorikov;Y. Iźyumov;L. D. Finkelstein;V. Anisimov;D. Johrendt
通讯作者：
A. Lukoyanov;A. Lukoyanov;S. Skornyakov;S. Skornyakov;J. McLeod;Mahmoud Abu-Samak;R. Wilks;E. Kurmaev;A. Moewes;N. A. Skorikov;Y. Iźyumov;L. D. Finkelstein;V. Anisimov;D. Johrendt
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影响因子：
2.7
作者：
Lu, Feng;Zhao, Jian Zhou;Wang, Wei-Hua
通讯作者：
Wang, Wei-Hua
DOI：
10.1143/jpsj.78.023706
发表时间：
2009-02
期刊：
arXiv: Superconductivity
影响因子：
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作者：
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通讯作者：
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影响因子：
3.7
作者：
Anand, V. K.;Kim, H.;Johnston, D. C.
通讯作者：
Johnston, D. C.
影响因子：
1.7
作者：
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通讯作者：
D. Hirai;T. Takayama;D. Hashizume;R. Higashinaka;A. Yamamoto;A. K. Hiroko;H. Takagi