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Structural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressure
作者姓名:孟祥旭  范靖  包括  李芳菲  黄晓丽  李岩  田夫波  段德芳  靳锡联  朱品文  何志  周强  高春晓  刘冰冰  崔田
作者单位:State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China
基金项目:Project supported by the National Basic Research Program of China (Grant No. 2011CB808200), the Program for Changjiang Scholars and Innovative Re- search Team in University, China (Grant No. IRT1132), the National Natural Science Foundation of China (Grant Nos. 51032001, 11074090, 10979001, and 51025206), and the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences (Grant No. DE-AC02-98CH 10886).
摘    要:The structural stability and electrical properties of A1B2-type MnB2 were studied based on high pressure angle- dispersive x-ray diffraction, in situ electrical resistivity measured in a diamond anvil cell (DAC) and first-principles calcu- lations under high pressure. The x-ray diffraction results show that the structure of A1B2-type MnB2 remains stable up to 42.6 GPa. From the equation of state of MnB2, we obtained a bulk modulus value of 169.9~3.7 GPa with a fixed pressure derivative of 4, which indicates that A1B2-type MnB2 is a hard and incompressible material. The electrical resistance un- dergoes a transition at about 19.3 GPa, which can be explained by a transition of manganese 3d electrons from localization to delocalization under high pressure.

关 键 词:transition  metal  compounds  high  pressure  effects  structural  stability  electrical  properties
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