X-Ray Diffraction Investigation of Chalcopyrite under High Pressure and Temperature
-
摘要: 在金刚石压腔高压装置(DAC)上,采用外加温实验技术和同步辐射角度色散X射线衍射技术,在最高温度628 K和最高压力32.0 GPa条件下,对天然黄铜矿进行了相变及热状态方程研究。实验样品在约6.0 GPa条件下发生了Chalcopyrite-Rocksalt相变。获得了天然黄铜矿的高温高压实验数据,并根据二阶Birch-Murnaghan状态方程,对所获得的实验数据进行了状态方程拟合,首次获得了天然黄铜矿Rocksalt相的体弹模量K0=109(3) GPa,体弹模量的温度导数(dK/dT)p=-0.033(4) GPaK-1和热膨胀系数0=2.0(2)10-5 K-1。Abstract: In situ angle dispersive X-ray diffraction measurements for a natural chalcopyrite were performed by using heating diamond anvil cell instrument with synchrotron radiation at BSRF up to 32.0 GPa and 628 K. The phase transition of chalcopyrite from chalcopyrite structure to rocksalt structure is around 6.0 GPa. A fit to the high temperature third-order Birch-Murnaghan equation of state yielded an isothermal bulk modulus K0=109(3) GPa, a temperature derivative of the bulk modulus (dK/dT)p=-0.033(4) GPaK-1, and a thermal expansion coefficient 0=2.0(2)10-5 K-1 of rocksalt structure phase of chalcopyrite for the first time.
-
Zhou H G, Chen H, Chen D, et al. Electronic structures and optical properties of CuAlX2 (X=S, Se, Te) semiconductors with a chalcopyrite structure [J]. Acta Physico-Chimica Sinica, 2011, 27(12): 2805-2813. (in Chinese) 周和根, 陈虹, 陈懂, 等. 黄铜矿型半导体材料CuAlX2 (X=S, Se, Te)的电子结构和光学性质 [J]. 物理化学学报, 2011, 27(12): 2805-2813. Pang Z L, Zhao A X, Pang T H. Crystallography and Mineralogy [M]. Beijing: Geology Press, 1994: 28-30. (in Chinese) 潘兆橹, 赵爱醒, 潘铁虹. 结晶学及矿物学 [M]. 北京: 地质出版社, 1994: 28-30. Pitt G D, Vyas M K R. Metal-semiconductor transition in single crystal chalcopyrite (CuFeS2) [J]. Solid State Commun, 1974, 15(5): 899-902. Tinoco T, Itie J P, Polian A, et al. Combined X-ray absorption and X-ray diffraction studies of CuGaS2, CuGaSe2, CuFeS2 and CuFeSe2 under high pressure [J]. J Phys Ⅳ, 1994, 4(C9): 151-154. Kobayashi H, Umemura J, Kazekami Y, et al. Pressure-induced amorphization of CuFeS2 studied by 57Fe nuclear resonant inelastic scattering [J]. Phys Rev B, 2007, 76(13): 134108. Ma Y M, Peng G, Li M, et al. X-ray diffraction investigation of pyrope under pressure [J]. Chinese Journal of High Pressure Physics, 2008, 22(3): 305-308. (in Chinese) 马艳梅, 彭刚, 李敏, 等. 镁铝石榴子石的高压X射线衍射研究 [J]. 高压物理学报, 2008, 22(3): 305-308. Ma M N, Zhou W G, Liu J, et al. Energy dispersive X-ray powder diffraction of natural enstatite under high pressure conditions [J]. Chinese Journal of High Pressure Physics, 2007, 21(3): 279-282. (in Chinese) 马麦宁, 周文戈, 刘景, 等. 高压下天然顽火辉石能量色散X射线粉末衍射研究 [J]. 高压物理学报, 2007, 21(3): 279-282. Xie H S. Materials Science of the Earth's Interior [M]. Beijing: Science Press, 1997: 92-96. (in Chinese) 谢鸿森. 地球深部物质科学导论 [M]. 北京: 科学出版社, 1997: 92-96. Fan D W, Zhou W G, Wei S Y, et al. A simple external resistance heating diamond anvil cell and its application for synchrotron radiation X-ray diffraction [J]. Rev Sci Instrum, 2010, 81(5): 053903. Shim S H, Duffy T S, Kenichi T. Equation of state of gold and its application to the phase boundaries near 660 km depth in Earth's mantle [J]. Earth Planet Sc Lett, 2002, 203(2): 729-739. Holland T J B, Redfern S A T. Unit cell refinement from powder diffraction data: the use of regression diagnostics [J]. Mineral Mag, 1997, 61(1): 65-77. Birch F. Finite elastic strain of cubic crystals [J]. Phys Rev, 1947, 71(11): 809-824.
点击查看大图
计量
- 文章访问数: 6498
- HTML全文浏览量: 500
- PDF下载量: 457