高压下FeNiP的压缩性

贺雪菁; KAGIHiroyuki; 秦善; 巫翔

doi:10.11858/gywlxb.20190837

高压下FeNiP的压缩性

doi: 10.11858/gywlxb.20190837

贺雪菁^{1, 2,},
KAGIHiroyuki²,
秦善^1,*, ,,
巫翔³

1.
北京大学地球与空间科学学院造山带与地壳演化教育部重点实验室，北京　100871
2.
东京大学大学院理学系研究科地壳化学实验施设，东京 113-0033，日本
3.
中国地质大学（武汉）地质过程与矿产资源国家重点实验室，湖北武汉　430074

基金项目: 国家自然科学基金（41772034）；日本学术振兴会科研基金JSPS KAKENHI（JP18H05224）

详细信息

作者简介:
贺雪菁（1994－），女，博士研究生，主要从事高温高压晶体化学研究.E-mail: xuejinghe@pku.edu.cn

通讯作者:
秦　善（1962－），男，博士，教授，主要从事高温高压晶体化学研究. E-mail: sqin@pku.edu.cn

中图分类号: O512.2; P691
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出版历程
- 收稿日期: 2019-09-20
- 修回日期: 2019-10-14
- 发布日期: 2019-10-25

Compressibility of FeNiP under High Pressure

HE Xuejing^{1, 2
,},
KAGI Hiroyuki²,
QIN Shan^{1,*
, ,},
WU Xiang³

1.
Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871, China
2.
Geochemical Research Center, School of Science, The University of Tokyo, Tokyo 113-0033, Japan
3.
State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, Wuhan 430074, China

摘要

摘要: 利用金刚石压腔技术和原位同步辐射X射线衍射技术，对FeNiP（$P\bar 62m$）的压缩性进行了实验研究。常温下，FeNiP在0～23.4 GPa压力范围内保持$P\bar 62m$结构不变。用Birch-Murnaghan状态方程对单位晶胞体积随压力的变化关系（p-V关系）进行拟合，得到：体积模量K₀=153(2) GPa，体积模量微商$K'_0 $ = 5.7(2)，零压下晶胞体积V₀ = 101.6(1) Å³；或K₀ = 167(1) GPa，$K'_0 $ = 4.0（固定值），V₀ = 101.5(1) Å³。与Fe₂P相比，FeNiP的体积模量更小，呈现出与Fe₂P相反、与Ni₂P相同的轴向压缩各向异性，据此探讨了Ni对(Fe,Ni)₂P压缩性的影响。应用当前实验结果，估算了FeNiP、Fe₂P、Fe₃P、Fe_2.15Ni_0.85P和Fe₃S在月球外核温压条件下的密度，通过与γ-Fe及月球外核密度的比较，得出Ni的加入会使“Fe-轻元素”体系的密度更接近月球外核密度，进一步阐释以多元合金体系（如Fe-Ni-S-P）为对象来研究行星核部物质组成更具合理性。
- FeNiP /
- 金刚石压腔 /
- X射线衍射 /
- 月球 /
- 外核
Abstract: Compressibility of FeNiP ($P\bar 62m$) has been studied up to 23.4 GPa by using diamond anvil cells (DAC) combined with in situ synchrotron X-ray diffraction (XRD) at room temperature. FeNiP remains the hexagonal structure at experimental pressure range. The pressure-volume (p-V) data has been fitted by the Birch-Murnaghan (B-M) equation of state, yielding K₀ = 153(2) GPa, $K'_0 $ = 5.7(2), V₀ = 101.6(1) Å³ or K₀ = 167(1) GPa, $K'_0 $ = 4.0 (fixed), V₀ = 101.5(1) Å³. FeNiP has smaller bulk modulus than Fe₂P, and shows analogous axial compressibility to Ni₂P. This might result from nickel’s doping effect on elastic properties of (Fe,Ni)₂P. The densities of FeNiP, Fe₂P, Fe₃P, Fe_2.15Ni_0.85P and Fe₃S have been estimated under the pressure-temperature conditions commensurate to the Moon’s outer core. The comparison shows that the doping of nickel could make (Fe,Ni)₂P and (Fe,Ni)₃P’s density approaching that of the Moon’s outer core.
- FeNiP /
- diamond anvil cell /
- X-ray diffraction /
- Moon /
- outer core

HTML全文

图 1 FeNiP在Run 1（a）和Run 2（b）两次原位高压同步辐射XRD实验中部分压力条件下的衍射图谱（星号表示铼的衍射峰）

Figure 1. Representative synchrotron radiation XRD patterns of FeNiP at various pressures in Run 1 (a) and Run 2 (b)(The asterisks mark diffraction peaks of rhenium)

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图 2 FeNiP的归一化轴长（a/a₀和c/c₀）及归一化轴长比值（（c/c₀）/（a/a₀））随压力的变化关系（Fe₂P和Ni₂P的p-（c/c₀）/（a/a₀）数据^[23–24]也被列出用于比较）

Figure 2. Normalized axis length of FeNiP (a/a₀ and c/c₀) and normalized ratio of axis length ((c/c₀)/(a/a₀)) with the change of pressure (p-(c/c₀)/(a/a₀) data of Fe₂P and Ni₂P^[23–24] are plotted for comparison.)

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图 3 FeNiP的归一化晶胞体积随压力的变化关系（Fe₂P和Ni₂P的数据^[23-24]也被绘出以进行比较）

Figure 3. Normalized unit-cell volume of FeNiP with the change of pressure (Data of Fe₂P and Ni₂P^[23-24] are plotted for comparison.)

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图 4 FeNiP的欧拉应变-标准化应力（ε_E-F_E）关系

Figure 4. Eularian strain-normalized stress (ε_E-F_E) plot of the p-V data based on the B-M equation of state

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图 5 月球外核温压（4.8～5.0 GPa，1 800 K）条件下FeNiP、Fe₂P、Fe₃P、Fe_2.15Ni_0.85P、Fe₃P和Fe₃S的估算密度（γ-Fe和月球外核密度也绘出用以比较）

Figure 5. Calculated density of FeNiP, Fe₂P, Fe₃P, Fe_2.15Ni_0.85P, Fe₃P, and Fe₃S under the pressure-temperature conditions commensurate to the Moon’s outer core（4.8–5.0 GPa, 1 800 K）（Density of γ-Fe and the Moon’s outer core are plotted for comparison.）

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表 1 FeNiP在不同压力下的晶胞参数

Table 1. Pressure dependence of unit-cell parameters of FeNiP

p/GPa	a/Å	c/Å	V/Å³	p/GPa	a/Å	c/Å	V/Å³
0.000 1	5.845（1）	3.433（1）	101.6（1）	7.9（1）	5.760（1）	3.379（1）	97.1（1）
1.0（1）	5.829（1）	3.426（1）	100.8（1）	9.1（1）	5.750（1）	3.372（1）	96.6（1）
2.8（1）	5.811（1）	3.413（1）	99.8（1）	10.5（1）	5.737（1）	3.362（1）	95.8（1）
3.3（1）	5.806（1）	3.410（1）	99.5（1）	11.6（1）	5.729（2）	3.353（2）	95.3（1）
3.8（1）	5.798（1）	3.406（1）	99.2（1）	13.5（1）	5.713（1）	3.346（1）	94.6（1）
4.8（1）	5.790（1）	3.400（1）	98.7（1）	18.1（1）	5.682（1）	3.320（1）	92.8（1）
5.7（1）	5.783（1）	3.392（1）	98.2（1）	20.7（1）	5.660（1）	3.306（1）	91.7（1）
6.6（1）	5.772（1）	3.385（1）	97.7（1）	23.4（1）	5.647（1）	3.292（1）	90.9（1）
Note: Data of 1.0–9.1 GPa are from Run1, and data of 10.5–23.4 GPa are from Run 2; numbers in parentheses represent errors in the last digit.

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表 2 Fe₂P、Ni₂P和FeNiP的B-M状态方程参数

Table 2. B-M EOS parameters of Fe₂P, Ni₂P, and FeNiP

Compound	K₀/GPa	${K'_0} $	V₀/Å³	Ref.
Fe₂P（${P\bar 62m}$）	175（8）	4.0（fixed）	103.16（1）	[23]
Ni₂P（${P\bar 62m}$）	201（8）	4.2（6）	100.54（fixed）	[24]
FeNiP（${P\bar 62m}$）	167（1）	4.0（fixed）	101.5（1）	This study

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表 3 FeNiP、Fe₂P、Fe₃P、Fe_2.15Ni_0.85P和Fe₃S的高温B-M状态方程参数

Table 3. High-temperature B-M equation of state parameters for FeNiP, Fe₂P, Fe₃P, Fe_2.15Ni_0.85P, and Fe₃S

Material	T₀/K	${V_{{0,T}_0}}$/Å³	${K_{{0T}_0}}$/GPa	${K'_{{0T}_0}}$	${{\left( {\dfrac{{\partial {K_T}}}{{\partial T}}} \right)_p}}/({\rm{GPa}}\cdot{\rm K}^{-1})$	α₀/（10^–5 K^–1）	α₁/（10^–8 K^–2）
FeNiP	300	101.5	167	4.0	–3.75×10^–2^[54]	3.0^[54]	2.8^[54]
Fe₂P	300^[23]	103.16^[23]	175^[23]	4.0^[23]	–3.75×10^–2^[54]	3.0^[54]	2.8^[54]
Fe₃P	300^[20]	366.9^[20]	161^[20]	4.0^[20]	–3.75×10^–2^[54]	3.0^[54]	2.8^[54]
Fe_2.15Ni_0.85P	300^[21]	365.8^[21]	185^[21]	4.0^[21]	–3.75×10^–2^[54]	3.0^[54]	2.8^[54]
Fe₃S	300^[54]	377.01^[54]	150^[54]	4.0^[54]	–3.75×10^–2^[54]	3.0^[54]	2.8^[54]

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