Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag,
Cu-Au and Ag-Au Intermetallic Compounds

Chin. Phys. Lett.

1995, Vol. 12

Issue (1): 12-15 DOI:

Original Articles

Lattice Inversion Method and ab initio Pair Potentials in Cu-Ag, Cu-Au and Ag-Au Intermetallic Compounds

XIE Qian¹;XU Wei;HUANG Meichun

Department of Physics, Xiamen University, Xiamen 361005 ¹Institute of Applied Physics, Beijing University of Science and Technology, Beijing 100083 (present address)

Cite this article:

XIE Qian, XU Wei, HUANG Meichun 1995 Chin. Phys. Lett. 12 12-15

Download: PDF(174KB)
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks

Abstract The lattice inversion method is used to construct ab initio pair potentials in the noble-metal alloy systems Cu-Ag, Cu-Au and Ag-Au from the elemental crystals and a L1₂ binary superstructure as references. Also, we present an alternative method for the determination of the three-dimensional Möbius functions by using the Kronecker expansion.

Keywords: 34.20.Cf 02.10.Lh

Published: 01 January 1995

PACS:	34.20.Cf	(Interatomic potentials and forces)
	02.10.Lh

TRENDMD:

URL:

https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y1995/V12/I1/012

Service
	E-mail this article
	E-mail Alert
	RSS
Articles by authors
	XIE Qian
	XU Wei
	HUANG Meichun

Related articles from Frontiers Journals

[1]	Jamieson M. J., Ouerdane H., . Parameters for Cold Collisions of Lithium and Caesium Atoms**[J]. Chin. Phys. Lett., 2011, 28(6): 12-15
[2]	HU Qiu-Bo, ZHANG Yong-Sheng, SUN Jin-Feng, YU Ke . Elastic Scattering between Ultracold ²³Na and ⁸⁵Rb Atoms in the Triplet State[J]. Chin. Phys. Lett., 2011, 28(4): 12-15
[3]	O. Bayrak, A. Soylu, I. Boztosun . Effect of the Velocity-Dependent Potentials on the Bound State Energy Eigenvalues**[J]. Chin. Phys. Lett., 2011, 28(4): 12-15
[4]	ZHANG Ji-Cai, ZHU Zun-Lue, LIU Yu-Fang, SUN Jin-Feng, . Elastic Scattering Properties of Ultracold Strontium Atoms**[J]. Chin. Phys. Lett., 2011, 28(12): 12-15
[5]	YUAN Xiao-Jian, , CHEN Nan-Xian, SHEN Jiang . Lattice-Inversion Embedded-Atom-Method Interatomic Potentials for Group-VA Transition Metals**[J]. Chin. Phys. Lett., 2011, 28(12): 12-15
[6]	HU Qiu-Bo, ZHANG Yong-Sheng, SUN Jin-Feng. Elastic Scattering of Ultracold 23Na and 39K Atoms in the Singlet State[J]. Chin. Phys. Lett., 2010, 27(2): 12-15
[7]	CHEN Yi, SHEN Jiang, CHEN Nan-Xian. Structural and Thermodynamic Properties of M₃W₃N (M=Fe, Co, Ni)[J]. Chin. Phys. Lett., 2009, 26(4): 12-15
[8]	LIU Xiao-Ming, LIU Zhan-Li, YOU Xiao-Chuan, NIE Jun-Feng, ZHUANG Zhuo. Theoretical Strength of Face-Centred-Cubic Single Crystal Copper Based on a Continuum Model[J]. Chin. Phys. Lett., 2009, 26(2): 12-15
[9]	A. Soylu, O. Bayrak, I. Boztosun. Exact Solutions of Klein--Gordon Equation with Scalar and Vector Rosen--Morse-Type Potentials[J]. Chin. Phys. Lett., 2008, 25(8): 12-15
[10]	CHEN Lan-Fang, ZHU Xiao-Long, MA Xin-Wen, LIU Ling, HE Bin, WANG Jian-Guo, Ratko JANEV. Theoretical Investigation on Excitation, Ionization and Capture in H(1s,2s) +H(1s, 2s) Collisions[J]. Chin. Phys. Lett., 2008, 25(8): 12-15
[11]	DU Bing-Ge, SUN Jin-Feng, ZHANG Ji-Cai, ZHANG Ying, LI Wei, ZHU Zun-Lue. Variable Phase Method Used to Calculate Ultracold Scattering Properties of ⁷Li³³Cs[J]. Chin. Phys. Lett., 2008, 25(10): 12-15
[12]	M.Kemal Ö, ztürk, Süleyman Ö, zcelk. Calculation of Elastic Scattering Properties in an Ultra-Cold ⁸⁵Rb--⁸⁵Rb Vapour[J]. Chin. Phys. Lett., 2004, 21(12): 12-15
[13]	LIM Teik-Cheng. Relationship and Discrepancies Among Typical Interatomic Potential Functions[J]. Chin. Phys. Lett., 2004, 21(11): 12-15
[14]	LIU Hong, DONG Jin-Ming, WAN Xian-Gang. Dependence of In-Tube Carbon Chain on the Radius and Helicity of Single-Wall Carbon Nanotubes[J]. Chin. Phys. Lett., 2002, 19(1): 12-15
[15]	WANG Tian-Min, WANG Bao-Yi, JU Xin, GU Qiang, WANG Yue-Xia, GAO Fei. Many-Body Potentials for Intermetallic TiAl Alloy and Its Point Defect Properties[J]. Chin. Phys. Lett., 2001, 18(3): 12-15

Viewed

Full text

Abstract