Electrical Transport Properties of Hexagonal TaSi2 Crystals Based on Structural Stability under High Pressure

LI Xiaoyang LU Yang YAN Hao

李晓阳, 陆阳, 晏浩. 高压下六方TaSi2晶体基于结构稳定性的电学输运性质[J]. 高压物理学报, 2018, 32(2): 021102. doi: 10.11858/gywlxb.20170571
引用本文: 李晓阳, 陆阳, 晏浩. 高压下六方TaSi2晶体基于结构稳定性的电学输运性质[J]. 高压物理学报, 2018, 32(2): 021102. doi: 10.11858/gywlxb.20170571
LI Xiaoyang, LU Yang, YAN Hao. Electrical Transport Properties of Hexagonal TaSi2 Crystals Based on Structural Stability under High Pressure[J]. Chinese Journal of High Pressure Physics, 2018, 32(2): 021102. doi: 10.11858/gywlxb.20170571
Citation: LI Xiaoyang, LU Yang, YAN Hao. Electrical Transport Properties of Hexagonal TaSi2 Crystals Based on Structural Stability under High Pressure[J]. Chinese Journal of High Pressure Physics, 2018, 32(2): 021102. doi: 10.11858/gywlxb.20170571

Electrical Transport Properties of Hexagonal TaSi2 Crystals Based on Structural Stability under High Pressure

doi: 10.11858/gywlxb.20170571
Funds: 

National Natural Science Foundation of China U1530402

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    Author Bio:

    LI Xiaoyang(1991—), male, master, major in condensed matter physics.E-mail:xiaoyang.li@hpstar.ac.cn

    Corresponding author: YAN Hao(1975—), male, doctor, major in condensed matter physics.E-mail:yanhao@hpstar.ac.cn
  • 摘要: 作为一类稳定的低电阻及高温材料,二硅化钽(TaSi2)被广泛应用于集成电路中。因此,其电学稳定性和结构稳定性同样重要。报导了高压下六方TaSi2晶体基于结构稳定性的电学输运性质。通过同步辐射X射线衍射和拉曼光谱实验研究了TaSi2晶体在压力高达20 GPa时稳定的结晶学结构,并通过原位高压电阻测量发现,当压力增加到16.3 GPa时,TaSi2的电阻率趋于稳定在2 μΩ·cm左右;进一步理论计算了压力下TaSi2的电子结构,以进一步理解其金属性行为。

     

  • Figure  1.  (a) Crystal structure of TaSi2 in ambient conditions; (b) Synchrotron XRD patterns of TaSi2 during compression and decompression; (c) Refinement of TaSi2 XRD data at 1.0 GPa

    Figure  2.  (a) Pressure-dependent lattice parameters of TaSi2(a0=0.478 4 nm, c0=0.657 0 nm); (b) Evolution of the normalized lattice parameters and volume with pressure for TaSi2; (c) Pressure-dependent unit cell volume of TaSi2

    Figure  3.  (a) Pressure-dependent Raman spectra of TaSi2 at room temperature; (b) Pressure-dependent Raman peaks (A3 and A4) of TaSi2 derived from the Raman spectra

    Figure  4.  The resistivity of TaSi2 under pressure at room temperature (The inset (upper right) is a photograph of the four-probe microcircuit in the diamond anvil cell.)

    Figure  5.  Calculated band structure of TaSi2 at (a) 0 GPa and (b) 15 GPa

    Table  1.   Rietveld refinement results of TaSi2 under low pressure and high pressure

    Pressure/GPa Atom type Fractional coordinates
    1 Ta (0.5, 0, 0)
    1 Si (0.16 148 66, 0.32 296 3, 0)
    20 Ta (0.5, 0.32 296 30, 0)
    20 Si (0.17 069 90, 0.34 138 9, 0)
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  • 收稿日期:  2017-04-26
  • 修回日期:  2017-05-03

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