Structural stability and electrical properties of AlB2-type MnB2 under high pressure

doi:10.1088/1674-1056/23/1/016102

Abstract The structural stability and electrical properties of AlB₂-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 calculations under high pressure. The x-ray diffraction results show that the structure of AlB₂-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 AlB₂-type MnB₂ is a hard and incompressible material. The electrical resistance undergoes 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.

Keywords: transition metal compounds high pressure effects structural stability electrical properties

Received: 15 March 2013
Revised: 06 September 2013
Accepted manuscript online:

PACS:	61.05.C-	(X-ray diffraction and scattering)
	61.50.-f	(Structure of bulk crystals)
	61.50.Ks	(Crystallographic aspects of phase transformations; pressure effects)
	62.50.-p	(High-pressure effects in solids and liquids)

Fund: Project supported by the National Basic Research Program of China (Grant No. 2011CB808200), the Program for Changjiang Scholars and Innovative Research 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-AC02-98CH10886).

Corresponding Authors: Cui Tian
E-mail: cuitian@jlu.edu.cn

Cite this article:

Meng Xiang-Xu (孟祥旭), Fan Jing (范靖), Bao Kuo (包括), Li Fang-Fei (李芳菲), Huang Xiao-Li (黄晓丽), Li Yan (李岩), Tian Fu-Bo (田夫波), Duan De-Fang (段德芳), Jin Xi-Lian (靳锡联), Zhu Pin-Wen (朱品文), He Zhi (何志), Zhou Qiang (周强), Gao Chun-Xiao (高春晓), Liu Bing-Bing (刘冰冰), Cui Tian (崔田) Structural stability and electrical properties of AlB₂-type MnB₂ under high pressure 2014 Chin. Phys. B 23 016102

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Structural stability and electrical properties of AlB2-type MnB2 under high pressure

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Structural stability and electrical properties of AlB₂-type MnB₂ under high pressure