Atomistic modeling of the structural and thermal conductivity of the InSb

Computers, Materials and Continua

Volumn 12, Issue 2, 2009, Pages 145-156

  Rino, José Pedro ^a   De Oliveira Cardozo, Giovano ^a   Picinin, Adalberto ^a  

^a FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELING; CESIUM CHLORIDE; FUNCTIONAL FORMS; HIGH PRESSURE; HIGH-PRESSURE PHASIS; INTERATOMIC POTENTIAL; MOLECULAR DYNAMICS SIMULATIONS; PARAMETRIZATIONS; ROCK SALT; THREE-BODY INTERACTION;

CESIUM; CESIUM COMPOUNDS; CHLORINE COMPOUNDS; HIGH PRESSURE LIQUID CHROMATOGRAPHY; MOLECULAR DYNAMICS; THERMAL CONDUCTIVITY; THERMOANALYSIS;

INDIUM ANTIMONIDES;

EID: 77449117898     PISSN: 15462218     EISSN: 15462226     Source Type: Journal    
DOI: None     Document Type: Article

References (37)

1. Allen, M. P. ; Tildesley, D. J. (1987): Computer simulation of liquids. Oxford University Press, Clarendon.
2. Baranyai, A. (1996): Heat flow studies for large temperature gradients by molecular dynamics simulation. Phys. Rev. E, vol.54, pp.6911-6917.
3. Baranyai, A. (2000): Temperature of nonequilibrium steady-state systems. Phys. Rev.E, vol.62, pp.5989-5997.
4. Baranyai, A. (2001): On the structure and thermodynamics of heat flow in fluids: A molecular dynamics study. J. Chem. Phys., vol.115, pp.4156-4160.
5. Bilz, H. ; Kress, W. (1979): Phonon dispersion relations in insulators. Berlin ; New York: Springer-Verlag.
6. Branicio, P. S.; Kalia, R. K.; Nakano, A.; Rino, J. P.; Shimojo, F.; Vashishta, P. (2003): Structural, mechanical, and vibrational properties of Ga1-xInxAs alloys: A molecular dynamics study. Appl. Phys. Lett., vol.82, pp.1057-1059.
7. Brenner, D. (2000): The Art and Science of an Analytic Potential. Phys. Stat. Sol. B, vol.217, pp.23-40.
8. Busch, G. ; Steigmeier, E. (1961): Wärmeleitfähigkeit, elektrische Leitfähigkeit, Hall-Effekt und Thermospannung von InSb. Helv. Phys. Acta, vol.34, pp.1-28.
9. Cahill, D. G.; Ford, W. K.; Goodson, K. E.; Mahan, G. D.; Majumdar, A.; Maris, H. J.; Merlin, R.; Phillpot, S. R. (2003): Nanoscale thermal transport. J. Appl. Phys. vol.93, pp.793-818.
10. Chakrabarty, A. ; Cagin, T. (2008): Computational studies on mechanical and thermal properties of carbon nanotube based nanostructures. CMC: Computers Materials & Continua, vol 7, pp.167-189.
11. Chatterjee, A.; Kalia, R. K.; Nakano, A.; Omeltchenko, A.; Tsuruta, K.; Vashishta, P.; Loong, C. K.;Winterer, M.; Klein, S. (2000): Sintering, structure, and mechanical properties of nanophase SiC: A molecular-dynamics and neutron scattering study. Appl.Phys. Lett. vol.77, pp.1132-1134.
12. Chiang, K. N.; Chou, C. Y.; Wu, C. J.; Huang, C. J.; Yew, M. C. (2008): Analytical Solution for Estimation of Temperature-Dependent Material Properties of Metals Using Modified Morse Potential. CMES: Computer Modeling in Engineering & Sciences, vol.37, pp.85-96.
13. Costa, S. C.; Pizani, P. S.; Rino, J. P. (2002): Structural phase transformation in InSb: A molecular dynamics simulation. Phys. Rev. B, vol.66, pp.214111.
14. Costa, S. C.; Pizani, P. S.; Rino, J. P. (2003): Molecular dynamics simulation of dynamical properties of InSb. Phys. Rev. B, vol.68, pp.073204.
15. Ebbsjo, I.; Kalia, R. K.; Nakano, A.; Rino, J. P.; Vashishta, P. (2000): Topology of amorphous gallium arsenide on intermediate length scales: A molecular dynamics study. J. Appl. Phys., vol.87, pp.7708-7711.
16. Erkoç, S. (1997): Empirical many-body potential energy function used in computer simulations of condensed matter properties. Phys. Rep., vol.278, pp.79-105.
17. Hansen, J. P.; McDonald, I. R. (1976): Theory of simple liquids. London; New York: Academic Press.
18. Harrison, W. A. (1980): Electronic structure and the properties of solids: the physics of the chemical bond. San Francisco, W.H. Freeman and Company.
19. Huang, M. J.; Tsai, T. C.; Liu, L. C.; Jeng, M.; Yang, C. C. (2009): A fast Monte-Carlo Solver for Phonon Transport in Nanostructured Semiconductors. CMES: Computer Modeling in Engineering & Sciences, vol.42, pp.107-129.
20. Kubo, R. (1957): Statistical-Mechanical Theory of Irreversible Processes .1. General Theory and Simple Applications to Magnetic and Conduction Problems. J. Phys. Soc. Japan, vol.12, pp.570-586.
21. Kunc, K.; Balkanski, M.; Nusimovici, M. A. (1975): Lattice-Dynamics of Several Anb8-N Compounds Having Zincblende Structure .2. Numerical-Calculations. Phys. Stat. Sol. B, vol.72, pp.229-248.
22. Madelung, O.; Schulz, M.; Weiss, H. (1982): Numerical Data and Functional Relationships in Science and Technology. In Landolt-Bornstein, New Series, Group III: Springer-Verlag, Berlin.
23. Magomedov, Y. B.; Bilalov, A. R. (2001): Thermal Conductivity and the Wiedemann-Franz Relation in Melts of Indium and Gallium Antimonides. Semicond., vol.35, pp.499-501.
24. Mujica, A.; Rubio, A.; Munoz, A.; Needs, R. J. (2003): High-pressure phases of group-IV, III-V, and II-VI compounds. Rev. Mod. Phys., vol.75, pp.863-912.
25. Nakano, A.; Kalia, R. K.; Vashishta, P. (1994): 1st Sharp Diffraction Peak and Intermediate-Range Order in Amorphous Silica - Finite-Size Effects in Molecular-Dynamics Simulations. J. Non-Cryst. Sol., vol 171, pp.157-163.
26. Price, D. L.; Rowe, J. M.; Nicklow, R. M. (1971): Lattice Dynamics of Grey Tin and Indium Antimonide. Phys. Rev. B, vol.3, pp.1268-1279.
27. Rino, J. P.; Chatterjee, A.; Ebbsjo, I.; Kalia, R. K.; Nakano, A.; Shimojo, F.; Vashishta, P. (2002): Pressure-induced structural transformation in GaAs: A molecular-dynamics study. Phys. Rev. B, vol.65, pp.195206.
28. Schelling, P. K.; Phillpot, S. R.; Keblinski, P. (2002): Comparison of atomiclevel simulation methods for computing thermal conductivity. Phys. Rev. B, vol.65, pp.144306.
29. Shimojo, F.; Ebbsjo, I.; Kalia, R. K.; Nakano, A.; Rino, J. P.; Vashishta, P. (2000): Molecular dynamics simulation of structural transformation in silicon carbide under pressure. Phys. Rev. Lett., vol.84, pp.3338-3341.
30. Stillinger, F. H.; Weber, T. A. (1985): Computer-Simulation of Local Order in Condensed Phases of Silicon. Phys. Rev. B, vol.31, pp.5262-5271.
31. Tersoff, J. (1988a): New Empirical-Approach for the Structure and Energy of Covalent Systems. Phys. Rev. B, vol.37, pp.6991-7000.
32. Tersoff, J. (1988b): Empirical Interatomic Potential for Silicon with Improved Elastic Properties. Phys. Rev. B, vol.38, pp.9902-9905.
33. Tersoff, J. (1988c): Empirical Interatomic Potential for Carbon, with Applications to Amorphous-Carbon. Phys. Rev. Lett., vol.61, pp.2879-2882.
34. Vanderborgh, C. A.; Vohra, Y. K.; Ruoff, A. L. (1989): Structural Phase-Transitions in Insb to 66 Gpa. Phys. Rev. B, vol.40, pp.12450-12456.
35. Vashishta, P.; Rahman, A. (1978): Ionic Motion in Alpha-Agi. Phys. Rev. Lett., vol.40, pp.1337-1340.
36. Vashishta, P.; Kalia, R. K.; Nakano, A.; Rino, J. P. (2008): Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina. J. Appl. Phys., vol.103, pp.083504.
37. Yousuf, M.; Qadri, S. B.; Skelton, E. F. (2003): Evidence for the existence of an unusual structure in the nanorods of InSb. Appl. Phys. A, vol.76, pp.133-137.