Study of Lattice Dynamics and Elastic Constants of Cu3Au Using Pseudopotential

被引：1

作者：

Vora, Nupur P. ^{[1
]}

Kumar, Priyank ^{[2
]}

Vyas, S. M. ^{[1
]}

Bhatt, N. K. ^{[3
]}

Vyas, P. R. ^{[1
]}

Gohel, V. B. ^{[1
]}

机构：

[1] Gujarat Univ, Sch Sci, Dept Phys, Ahmadabad 380009, Gujarat, India

[2] Govt Polytech, Dept Sci & Humanities, Gandhinagar 382024, Gujarat, India

[3] MK Bhavanagar Univ, Dept Phys, Bhavnagar 364001, Gujarat, India

来源：

3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER & APPLIED PHYSICS (ICC-2019) | 2020年 / 2220卷

关键词：

ordered binary alloys; pseudopotential methods; lattice dynamics; second order; elastic constants; FREQUENCIES;

D O I：

10.1063/5.0001257

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Using second order perturbation theory in the present study, we have investigated lattice dynamics in symmetric directions and second order elastic constants (C-11, C-12 and C-44) for ordered Cu3Au binary alloys. The theoretical results of lattice dynamics and second order elastic constants (SOEC) are in a good agreement with experimental findings and available theoretical results. We conclude that the effective valency determine from first principles method with local pseudopotential do play an important role for theoretical understanding of physical properties of Cu3Au.

引用

页数：4

共 18 条

[1]

[Anonymous], 1957, P ROY SOC A-MATH PHY, DOI DOI 10.1098/RSPA.1957.0106

[2]

[Anonymous], THERMODYNAMICS CRYST

[3] Comparative study of transport properties using transition metal model potential (TMMP) for 16 liquid metals [J].

Bhatia, Kamaldeep G. ;

Bhatt, N. K. ;

Vyas, P. R. ;

Gohel, V. B. .

PRAMANA-JOURNAL OF PHYSICS, 2019, 92 (02)

[4] High temperature and pressure thermodynamics of strontium: A macroscopic approach [J].

Bhatt, N. K. ;

Vyas, P. R. ;

Jani, A. R. .

PHILOSOPHICAL MAGAZINE, 2010, 90 (12) :1599-1622

[5]

Clari F., 1993, PHILOS MAG, V67, P369

[6] Extended Finnis-Sinclair potential for bcc and fcc metals and alloys [J].

Dai, X. D. ;

Kong, Y. ;

Li, J. H. ;

Liu, B. X. .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (19) :4527-4542

[7]

GEORGE KJ, 1978, INDIAN J PURE AP PHY, V16, P827

[8] CRYSTAL DYNAMICS OF ALLOY CU3AU [J].

HALLMAN, ED .

CANADIAN JOURNAL OF PHYSICS, 1974, 52 (22) :2235-2239

[9]

Joshi R., 2017, THESIS

[10] Thermal and mechanical properties of Cu-Au intermetallic alloys [J].

Kart, HH ;

Tomak, M ;

Çagin, T .

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2005, 13 (05) :657-669

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