Effects of High Pressure on BC<suB>3</suB>

Chin. Phys. Lett.

2006, Vol. 23

Issue (9): 2538-2541 DOI:

Original Articles

Effects of High Pressure on BC₃

ZHOU Jin-Ling;CUI Tian; MA Yan-Ming;LIU Zhi-Ming;LIU Bing-Bing;ZOU Guang-Tian

National Laboratory of Superhard Materials, Jilin University, Changchun 130012

Cite this article:

ZHOU Jin-Ling, CUI Tian, MA Yan-Ming et al 2006 Chin. Phys. Lett. 23 2538-2541

Download: PDF(276KB)
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks

Abstract High-pressure phases of BC₃ are studied within the local density approximation under the density functional theory framework. When the pressure reaches 20GPa, the layered BC₃ that is a semiconductor at ambient pressure, becomes metallic. As the pressure increases, the material changes into a network structure at about 35GPa. To understand the mechanism of phase transitions, band structure and density of states are discussed. With the increase of pressure, the width of bands broadens and the dispersion of bands enlarges. Additionally, the density of states of the network bears great resemblance to that of diamond. Formation of the sp³ bonding in the network is the main reason for the structural transformation at 35GPa.

Keywords: 70.20.-b 91.60.Gf 68.18.Jk

Published: 01 September 2006

PACS:	70.20.-b
	91.60.Gf	(High-pressure behavior)
	68.18.Jk	(Phase transitions in liquid thin films)

TRENDMD:

URL:

https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2006/V23/I9/02538

Service
	E-mail this article
	E-mail Alert
	RSS
Articles by authors
	ZHOU Jin-Ling
	CUI Tian
	MA Yan-Ming
	LIU Zhi-Ming
	LIU Bing-Bing
	ZOU Guang-Tian

Related articles from Frontiers Journals

[1]	FAN Da-Wei, WEI Shu-Yi, LIU Jing, LI Yan-Chun, XIE Hong-Sen . High Pressure X-Ray Diffraction Study of a Grossular–Andradite Solid Solution and the Bulk Modulus Variation along this Solid Solution**[J]. Chin. Phys. Lett., 2011, 28(7): 2538-2541
[2]	WANG Duo-Jun, LIU Zai-Yang, YI Li, SHI Bao-Ping . Electrical Properties of Hydrous Forsterite Derived from First-Principles Calculations**[J]. Chin. Phys. Lett., 2011, 28(5): 2538-2541
[3]	WANG Hua, ZHANG Jian, YANG Fan, WANG Kai, SHEN Si-Le, LIU Bing-Bing, ZOU Bo, ZOU Guang-Tian . Analysis on the DNA Fingerprinting of Aspergillus Oryzae Mutant Induced by High Hydrostatic Pressure[J]. Chin. Phys. Lett., 2011, 28(1): 2538-2541
[4]	LU Lai-Yu, WEI Dong-Qing, CHEN Xiang-Rong, JI Guang-Fu. First-Principles Calculations of Structures and Electronic Properties of Solid Pentaerythritol under Pressure[J]. Chin. Phys. Lett., 2008, 25(9): 2538-2541
[5]	ZHANG Hong, TANG Jin, CHENG Xin-Lu. Structural, Electronic Properties and Chemical Bonding of Borate Li₄CaB₂O₆ under High Pressure: an Ab Initio Investigation[J]. Chin. Phys. Lett., 2008, 25(2): 2538-2541
[6]	JIAO Xin-Bing, WEI Jing-Song, GAN Fu-Xi. Si Underlayer Induced Nano-Ablation in AgInSbTe Thin Films[J]. Chin. Phys. Lett., 2008, 25(1): 2538-2541
[7]	HUANG Dai-Hui, LIU Xiu-Ru, SU Lei, HU Yun, LV Shi-Jie, LIU Hai-Long, HONG Shi-Ming. Measuring Grüneisen Parameter of Lead by High Pressure-Jump Method[J]. Chin. Phys. Lett., 2007, 24(8): 2538-2541
[8]	ZHANG Dai-Yu, LIU Fu-Sheng, HAO Gao-Yu, SUN Yu-Huai. Shock Induced Emission from Sapphire in High-Pressure Phase of Rh₂O₃ (II) Structure[J]. Chin. Phys. Lett., 2007, 24(8): 2538-2541
[9]	LI Ming, GAO Chun-Xiao, MA Yan-Zhang, HE Chun-Yuan, HAO Ai-Min, ZHANG Dong-Mei, LI Yan-Chun, LIU Jing, WANG Duo-Jun. Resistivity Measurement of Molten Olivine in a Laser-Heated Diamond[J]. Chin. Phys. Lett., 2007, 24(4): 2538-2541
[10]	ZHANG Wang, YAO Li-De, YOU Shu-Jie, YANG Liu-Xiang, YANG Hua, LI Feng-Ying, CHEN Liang-Chen, BAO Zhong-Xing, LI Xiao-Dong, LIU Jing, JIN Chang-Qing, YU Ri-Cheng. Structural Stability of CaCuMn₆O₁₂ under High Pressure and Low Temperature[J]. Chin. Phys. Lett., 2007, 24(2): 2538-2541
[11]	LIN Ao-Lei, WANG Kai, ZHAO Yu, HAO Jian, ZOU Bo,. High-Pressure Phase Transition in CTAB-Micellar Solutions: A Raman Spectroscopic Study[J]. Chin. Phys. Lett., 2007, 24(11): 2538-2541
[12]	DENG Li-Wei, ZHAO Ji-Jun, JI Guang-Fu, GONG Zi-Zheng, WEI Dong-Qing,. First-Principles Study of Orthorhombic Perovskites MgSiO₃ up to 120GPa and Its Geophysical Implications[J]. Chin. Phys. Lett., 2006, 23(8): 2538-2541
[13]	YI Li, WANG Duo-Jun, LI He-Ping. Electrical Properties of Natural Pyroxenite[J]. Chin. Phys. Lett., 2005, 22(8): 2538-2541
[14]	CAI Ling-Cang, CHEN Qi-Feng, CUI Shou-Xin, JING Fu-Qian. The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study[J]. Chin. Phys. Lett., 2005, 22(2): 2538-2541
[15]	REN Guo-Zhong, JIA Xiao-Peng, ZHU Pin-Wen, ZANG Chuan-Yi, MA Hong-An, WANG Xian-Cheng. In-Situ Measurement of Electrical Character of PbTe at High Pressure and High Temperature[J]. Chin. Phys. Lett., 2005, 22(1): 2538-2541

Viewed

Full text

Abstract