Phonon transport in the ground state of two-dimensional silicon and germanium

RSC Advances

Volumn 6, Issue 74, 2016, Pages 69956-69965

  Han, Yang ^a   Dong, Jinming ^b   Qin, Guangzhao ^a   Hu, Ming ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN EQUATION; CALCULATIONS; ELASTIC MODULI; ENERGY GAP; GERMANIUM; GROUND STATE; LATTICE CONSTANTS; LIGHT VELOCITY; PHONONS; POTENTIAL ENERGY; SPECIFIC HEAT;

BOLTZMANN TRANSPORT EQUATION; FIRST-PRINCIPLES CALCULATION; INTERATOMIC FORCES; LATTICE THERMAL CONDUCTIVITY; POTENTIAL ENERGY CHANGES; ROOT MEAN SQUARE DISPLACEMENT; THERMOELECTRIC DEVICES; TWO DIMENSIONAL (2 D);

THERMAL CONDUCTIVITY;

EID: 84979884764     PISSN: None     EISSN: 20462069     Source Type: Journal    
DOI: 10.1039/c6ra14351b     Document Type: Article

References (56)

1. K. S. Novoselov A. K. Geim S. Morozov D. Jiang Y. Zhang S. A. Dubonos I. Grigorieva A. Firsov Electric field effect in atomically thin carbon films Science 2004 306 666 669
2. F. Matusalem M. Marques L. K. Teles F. Bechstedt Stability and electronic structure of two-dimensional allotropes of group-IV materials Phys. Rev. B: Condens. Matter Mater. Phys. 2015 92 045436
3. Y. Kuang L. Lindsay S. Shi G.-P. Zheng Tensile strains give rise to strong size effects for thermal conductivities of silicene, germanene and stanene Nanoscale 2016 8 3760 3767
4. C. Lee X. Wei J. W. Kysar J. Hone Measurement of the elastic properties and intrinsic strength of monolayer graphene Science 2008 321 385 388
5. R. J. Young I. A. Kinloch L. Gong K. S. Novoselov The mechanics of graphene nanocomposites: a review Compos. Sci. Technol. 2012 72 1459 1476
6. S. Das Sarma S. Adam E. H. Hwang E. Rossi Electronic transport in two-dimensional graphene Rev. Mod. Phys. 2011 83 407 470
7. A. A. Balandin S. Ghosh W. Bao I. Calizo D. Teweldebrhan F. Miao C. N. Lau Superior Thermal Conductivity of Single-Layer Graphene Nano Lett. 2008 8 902 907
8. S. Ghosh I. Calizo D. Teweldebrhan E. P. Pokatilov D. L. Nika A. A. Balandin W. Bao F. Miao C. N. Lau Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits Appl. Phys. Lett. 2008 92 151911
9. A. A. Balandin Thermal properties of graphene and nanostructured carbon materials Nat. Mater. 2011 10 569 581
10. K. S. Novoselov V. Fal L. Colombo P. Gellert M. Schwab K. Kim A roadmap for graphene Nature 2012 490 192 200
11. A. Adán-Más D. Wei Photoelectrochemical properties of graphene and its derivatives Nanomaterials 2013 3 325 356
12. Y. Shao J. Wang H. Wu J. Liu I. A. Aksay Y. Lin Graphene based electrochemical sensors and biosensors: a review Electroanalysis 2010 22 1027 1036
13. W. Choi I. Lahiri R. Seelaboyina Y. S. Kang Synthesis of graphene and its applications: a review Crit. Rev. Solid State Mater. Sci. 2010 35 52 71
14. S. Cahangirov M. Topsakal E. Aktürk H. Şahin S. Ciraci Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium Phys. Rev. Lett. 2009 102 236804
15. F. Bechstedt L. Matthes P. Gori O. Pulci Infrared absorbance of silicene and germanene Appl. Phys. Lett. 2012 100 261906
16. L. Matthes P. Gori O. Pulci F. Bechstedt Universal infrared absorbance of two-dimensional honeycomb group-IV crystals Phys. Rev. B: Condens. Matter Mater. Phys. 2013 87 035438
17. M. Lars P. Olivia B. Friedhelm Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene J. Phys.: Condens. Matter 2013 25 395305
18. L. Chun-Liang A. Ryuichi K. Kazuaki T. Noriyuki M. Emi K. Yousoo T. Noriaki K. Maki Structure of Silicene Grown on Ag(111) Appl. Phys. Express 2012 5 045802
19. M. E. Dávila L. Xian S. Cahangirov A. Rubio G. L. Lay Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene New J. Phys. 2014 16 095002
20. X. Zhang H. Bao M. Hu Bilateral substrate effect on the thermal conductivity of two-dimensional silicon Nanoscale 2015 7 6014 6022
21. H. Xie T. Ouyang É. Germaneau G. Qin M. Hu H. Bao Large tunability of lattice thermal conductivity of monolayer silicene via mechanical strain Phys. Rev. B: Condens. Matter Mater. Phys. 2016 93 075404
22. M. Hu X. Zhang D. Poulikakos Anomalous thermal response of silicene to uniaxial stretching Phys. Rev. B: Condens. Matter Mater. Phys. 2013 87 195417
23. H. Xie M. Hu H. Bao Thermal conductivity of silicene from first-principles Appl. Phys. Lett. 2014 104 131906
24. X. Zhang H. Xie M. Hu H. Bao S. Yue G. Qin G. Su Thermal conductivity of silicene calculated using an optimized Stillinger-Weber potential Phys. Rev. B: Condens. Matter Mater. Phys. 2014 89 054310
25. S. Balendhran S. Walia H. Nili S. Sriram M. Bhaskaran Elemental analogues of graphene: silicene, germanene, stanene, and phosphorene Small 2015 11 640 652
26. P. Vogt P. De Padova C. Quaresima J. Avila E. Frantzeskakis M. C. Asensio A. Resta B. Ealet G. Le Lay Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon Phys. Rev. Lett. 2012 108 155501
27. A. Fleurence R. Friedlein T. Ozaki H. Kawai Y. Wang Y. Yamada-Takamura Experimental Evidence for Epitaxial Silicene on Diboride Thin Films Phys. Rev. Lett. 2012 108 245501
28. D. Kaltsas L. Tsetseris Stability and electronic properties of ultrathin films of silicon and germanium Phys. Chem. Chem. Phys. 2013 15 9710 9715
29. V. O. Özçelik S. Ciraci Local Reconstructions of Silicene Induced by Adatoms J. Phys. Chem. C 2013 117 26305 26315
30. S. Cahangirov V. O. Özçelik L. Xian J. Avila S. Cho M. C. Asensio S. Ciraci A. Rubio Atomic structure of the √3 × √3 phase of silicene on Ag(111) Phys. Rev. B: Condens. Matter Mater. Phys. 2014 90 035448
31. B. Silvi A. Savin Classification of chemical bonds based on topological analysis of electron localization functions Nature 1994 371 683 686
32. K. Momma F. Izumi VESTA: a three-dimensional visualization system for electronic and structural analysis J. Appl. Crystallogr. 2008 41 653 658
33. J. P. Perdew K. Burke M. Ernzerhof Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996 77 3865 3868
34. G. Kresse J. Hafner Ab initio molecular dynamics for liquid metals Phys. Rev. B: Condens. Matter Mater. Phys. 1993 47 558 561
35. G. Kresse J. Hafner Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium Phys. Rev. B: Condens. Matter Mater. Phys. 1994 49 14251 14269
36. G. Kresse J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 11169 11186
37. G. Kresse J. Furthmüller Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 1996 6 15 50
38. P. E. Blöchl Projector augmented-wave method Phys. Rev. B: Condens. Matter Mater. Phys. 1994 50 17953 17979
39. G. Kresse D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 1758 1775
40. Y. Han M. Hu Ground state of bilayer hα-silica: mechanical and electronic properties Nanotechnology 2015 26 505702
41. W. Li J. Carrete N. A. Katcho N. Mingo ShengBTE: A solver of the Boltzmann transport equation for phonons Comput. Phys. Commun. 2014 185 1747 1758
42. S. Baroni S. De Gironcoli A. Dal Corso P. Giannozzi Phonons and related crystal properties from density-functional perturbation theory Rev. Mod. Phys. 2001 73 515
43. 2 at high pressures Phys. Rev. B: Condens. Matter Mater. Phys. 2008 78 134106
44. A. Togo I. Tanaka First principles phonon calculations in materials science Scr. Mater. 2015 108 1 5
45. R. Li J. Zhou Y. Han J. Dong Y. Kawazoe A new (2 × 1) reconstructed edge structure of zigzag Si nanoribbon: First principles study J. Chem. Phys. 2013 139 104703
46. L. N. Virgin, Vibration of axially-loaded structures, Cambridge University Press, Cambridge, United Kingdom, 2007
47. J. Carrete, W. Li, L. Lindsay, D. A. Broido, L. J. Gallego and N. Mingo, Physically founded phonon dispersions of few-layer materials, and the case of borophene, arXiv preprint arXiv:1601.02884, 2016
48. G. Qin Q.-B. Yan Z. Qin S.-Y. Yue M. Hu G. Su Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles Phys. Chem. Chem. Phys. 2015 17 4854 4858
49. H. Yang Q. Guangzhao J. Christoph H. Ming Strain-modulated electronic and thermal transport properties of two-dimensional O-silica Nanotechnology 2016 27 265706
50. L. E. Kinsler, A. R. Frey, A. B. Coppens and J. V. Sanders, Fundamentals of Acoustics, ed., E. Kinsler, A. R. Frey, A. B. Coppens, and, J. V. Sanders, Wiley-VCH, John Wiley and sons Inc., New York, USA, 4th edn, 1999, p. 560, ISBN 0-471-84789-5
51. K. D. Parrish A. Jain J. M. Larkin W. A. Saidi A. J. H. McGaughey Origins of thermal conductivity changes in strained crystals Phys. Rev. B: Condens. Matter Mater. Phys. 2014 90 235201
52. C. Kittel, Introduction to solid state physics, Wiley, 2005
53. M. Asen-Palmer K. Bartkowski E. Gmelin M. Cardona A. Zhernov A. Inyushkin A. Taldenkov V. Ozhogin K. Itoh E. Haller Thermal conductivity of germanium crystals with different isotopic compositions Phys. Rev. B: Condens. Matter Mater. Phys. 1997 56 9431
54. D. Morelli J. Heremans G. Slack Estimation of the isotope effect on the lattice thermal conductivity of group IV and group III-V semiconductors Phys. Rev. B: Condens. Matter Mater. Phys. 2002 66 195304
55. 2 (P 4/ mmm) by Lanthanum Substitution: Computational and Experimental Approaches J. Electron. Mater. 2014 43 3772 3779
56. P. Carruthers Theory of Thermal Conductivity of Solids at Low Temperatures Rev. Mod. Phys. 1961 33 92 138