Reversible, erasable, and rewritable nanorecording on an H2 rotaxane thin film

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	Reversible, erasable, and rewritable nanorecording on an H2 rotaxane thin film
	Feng, M ; Gao, L ; Deng, ZT ; Ji, W ; Guo, XF ; Du, SX ; Shi, DX ; Zhang, DQ ; Zhu, DB ; Gao, HJ
刊名	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
	2007
卷号	129 期号:8 页码:2204
关键词	SCANNING-TUNNELING-MICROSCOPY MOLECULAR SWITCH NANOMETER-SCALE MONOLAYERS
ISSN号	0002-7863
通讯作者	Gao, HJ (reprint author), Chinese Acad Sci, Inst Phys, POB 603, Beijing 100080, Peoples R China.
中文摘要	The phonon dispersions of LiD, LiH and NaH for B1 and B2 phases are computed using density-functional perturbation theory (DFPT) with both local density (LDA) and generalized gradient (GGA) approximations. It is found from the phonon dispersion curves that the B2 phase is unstable at low pressure for all the systems considered. From the vibrational free energy, the coefficient of the linear thermal expansion, the heat capacity and the vibrational entropy as a function of temperature at zero pressure are calculated within the framework of the quasiharmonic approximation. Very good agreement is found for these properties except in the case of the GGA at high temperature. The equation of states for NaH B1 and B2 phases at 300 K and the B1-to-B2 phase transition pressure are in excellent agreement with experimental results. The equation of state for the LiH B1 phase agrees well with experiments and recent theoretical calculations. The estimated B1-to-B2 phase transition pressure (308 GPa) is also in good agreement with other theoretical calculations.
收录类别	SCI
语种	英语
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/52178]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Feng, M,Gao, L,Deng, ZT,et al. Reversible, erasable, and rewritable nanorecording on an H2 rotaxane thin film[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2007,129(8):2204.
APA	Feng, M.,Gao, L.,Deng, ZT.,Ji, W.,Guo, XF.,...&Gao, HJ.(2007).Reversible, erasable, and rewritable nanorecording on an H2 rotaxane thin film.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,129(8),2204.
MLA	Feng, M,et al."Reversible, erasable, and rewritable nanorecording on an H2 rotaxane thin film".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129.8(2007):2204.