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Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 14, 2013, Pages

Anharmonic vibrational properties in periodic systems: Energy, electron-phonon coupling, and stress

(3) Monserrat, Bartomeu a Drummond, N D b Needs, R J a

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

b LANCASTER UNIVERSITY (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84876170994 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.87.144302 Document Type: Article

Times cited : (195)

References (57)

1
- 0003917522
- John Wiley & Sons, New York
- D. C. Wallace, Thermodynamics of Crystals (John Wiley & Sons, New York, 1972).
- (1972) Thermodynamics of Crystals
- Wallace, D.C.¹

2
- 0003496090
- Oxford University Press, Oxford
- M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1956).
- (1956) Dynamical Theory of Crystal Lattices
- Born, M.¹ Huang, K.²

3
- 0003690463
- Academic Press, New York
- A. A. Maradudin, E. W. Montroll, G. H. Weiss, and I. P. Ipatova, Theory of Lattice Dynamics in the Harmonic Approximation, 2nd ed. (Academic Press, New York, 1971).
- (1971) Theory of Lattice Dynamics in the Harmonic Approximation
- Maradudin, A.A.¹ Montroll, E.W.² Weiss, G.H.³ Ipatova, I.P.⁴

4
- 5544244277
- Springer-Verlag, Berlin
- M. Born, Festschrift zur Feier des Zweihundertjährigen Bestehens der Akademie der Wissenschaften der Universität Götttingen I. Mathematisch-Physikalische Klasse (Springer-Verlag, Berlin, 1951).
- (1951) Festschrift Zur Feier des Zweihundertjährigen Bestehens der Akademie der Wissenschaften der Universität Götttingen I. Mathematisch- Physikalische Klasse
- Born, M.¹

5
- 34250909901
- ZEPYAA 0044-3328 10.1007/BF01330055
- D. Hooton, Z. Phys. ZEPYAA 0044-3328 10.1007/BF01330055 142, 42 (1955).
- (1955) Z. Phys. , vol.142 , pp. 42
- Hooton, D.¹

6
- 34250922331
- ZEPYAA 0044-3328 10.1007/BF01329422
- M. Born and D. Hooton, Z. Phys. ZEPYAA 0044-3328 10.1007/BF01329422 142, 201 (1955).
- (1955) Z. Phys. , vol.142 , pp. 201
- Born, M.¹ Hooton, D.²

7
- 84996226995
- 1478-6435 10.1080/14786435808243224
- D. J. Hooton, Philos. Mag. 1478-6435 10.1080/14786435808243224 3, 49 (1958).
- (1958) Philos. Mag. , vol.3 , pp. 49
- Hooton, D.J.¹

8
- 0003672131
- W. A. Benjamin Inc., New York
- P. Choquard, The Anharmonic Crystal (W. A. Benjamin Inc., New York, 1967).
- (1967) The Anharmonic Crystal
- Choquard, P.¹

9
- 4244082863
- PRBMDO 1098-0121 10.1103/PhysRevB.1.572
- N. R. Werthamer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.1.572 1, 572 (1970).
- (1970) Phys. Rev. B , vol.1 , pp. 572
- Werthamer, N.R.¹

10
- 0010657744
- JLTPAC 0022-2291 10.1007/BF00654839
- M. Klein and G. Horton, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/BF00654839 9, 151 (1972).
- (1972) J. Low Temp. Phys. , vol.9 , pp. 151
- Klein, M.¹ Horton, G.²

11
- 84862132117
- RMPHAT 0034-6861 10.1103/RevModPhys.84.945
- G. Grimvall, B. Magyari-Köpe, V. Ozoliņš, and K. A. Persson, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.84.945 84, 945 (2012).
- (2012) Rev. Mod. Phys. , vol.84 , pp. 945
- Grimvall, G.¹ Magyari-Köpe, B.² Ozoliņš, V.³ Persson, K.A.⁴

12
- 40849136341
- Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory
- DOI 10.1103/PhysRevLett.100.095901
- P. Souvatzis, O. Eriksson, M. I. Katsnelson, and S. P. Rudin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.095901 100, 095901 (2008). (Pubitemid 351399039)
- (2008) Physical Review Letters , vol.100 , Issue.9 , pp. 095901
- Souvatzis, P.¹ Eriksson, O.² Katsnelson, M.I.³ Rudin, S.P.⁴

13
- 82455209565
- PRBMDO 1098-0121 10.1103/PhysRevB.84.180301
- O. Hellman, I. A. Abrikosov, and S. I. Simak, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.180301 84, 180301 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 180301
- Hellman, O.¹ Abrikosov, I.A.² Simak, S.I.³

14
- 84865644642
- PRBMDO 1098-0121 10.1103/PhysRevB.86.054119
- N. Antolin, O. D. Restrepo, and W. Windl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.054119 86, 054119 (2012).
- (2012) Phys. Rev. B , vol.86 , pp. 054119
- Antolin, N.¹ Restrepo, O.D.² Windl, W.³

15
- 33344464730
- First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
- DOI 10.1103/PhysRevB.71.205214
- N. Mounet and N. Marzari, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.205214 71, 205214 (2005). (Pubitemid 43285165)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.71 , Issue.20 , pp. 205214
- Mounet, N.¹ Marzari, N.²

16
- 0003964324
- Plenum Press, New York
- G. D. Mahan, Many-Particle Physics (Plenum Press, New York, 1981).
- (1981) Many-Particle Physics
- Mahan, G.D.¹

17
- 29944434830
- Isotope effects on the optical spectra of semiconductors
- DOI 10.1103/RevModPhys.77.1173
- M. Cardona and M. L. W. Thewalt, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.77.1173 77, 1173 (2005). (Pubitemid 43040073)
- (2005) Reviews of Modern Physics , vol.77 , Issue.4 , pp. 1173-1224
- Cardona, M.¹ Thewalt, M.L.W.²

18
- 0000411518
- JPSOAW 0022-3719 10.1088/0022-3719/9/12/013
- P. B. Allen and V. Heine, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/9/12/013 9, 2305 (1976).
- (1976) J. Phys. C , vol.9 , pp. 2305
- Allen, P.B.¹ Heine, V.²

19
- 0001388228
- PRBMDO 1098-0121 10.1103/PhysRevB.23.1495
- P. B. Allen and M. Cardona, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.1495 23, 1495 (1981).
- (1981) Phys. Rev. B , vol.23 , pp. 1495
- Allen, P.B.¹ Cardona, M.²

20
- 78650491412
- PRLTAO 0031-9007 10.1103/PhysRevLett.105.265501
- F. Giustino, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.265501 105, 265501 (2010).
- (2010) Phys. Rev. Lett. , vol.105 , pp. 265501
- Giustino, F.¹ Louie, S.G.² Cohen, M.L.³

21
- 84973654655
- ANPYA2 0003-3804 10.1002/andp.19273892002
- M. Born and R. Oppenheimer, Ann. Phys. ANPYA2 0003-3804 10.1002/andp.19273892002 389, 457 (1927).
- (1927) Ann. Phys. , vol.389 , pp. 457
- Born, M.¹ Oppenheimer, R.²

22
- 36749105013
- JCPSA6 0021-9606 10.1063/1.435782
- J. M. Bowman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.435782 68, 608 (1978).
- (1978) J. Chem. Phys. , vol.68 , pp. 608
- Bowman, J.M.¹

23
- 0001605122
- JCPSA6 0021-9606 10.1063/1.472922
- L. S. Norris, M. A. Ratner, A. E. Roitberg, and R. B. Gerber, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472922 105, 11261 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 11261
- Norris, L.S.¹ Ratner, M.A.² Roitberg, A.E.³ Gerber, R.B.⁴

24
- 0030393223
- JCPSA6 0021-9606 10.1063/1.472960
- J. O. Jung and R. B. Gerber, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472960 105, 10332 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 10332
- Jung, J.O.¹ Gerber, R.B.²

25
- 58149260232
- PRBMDO 1098-0121 10.1103/PhysRevB.78.224108
- I. Scivetti, N. Gidopoulos, and J. Kohanoff, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.224108 78, 224108 (2008).
- (2008) Phys. Rev. B , vol.78 , pp. 224108
- Scivetti, I.¹ Gidopoulos, N.² Kohanoff, J.³

26
- 0004120171
- Academic Press, New York
- H. Brooks, Advances in Electronics and Electron Physics, Vol. 7 (Academic Press, New York, 1955).
- (1955) Advances in Electronics and Electron Physics
- Brooks, H.¹

27
- 84956124834
- EULEEJ 0295-5075 10.1209/0295-5075/10/6/011
- R. D. King-Smith, R. J. Needs, V. Heine, and M. J. Hodgson, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/10/6/011 10, 569 (1989).
- (1989) Europhys. Lett. , vol.10 , pp. 569
- King-Smith, R.D.¹ Needs, R.J.² Heine, V.³ Hodgson, M.J.⁴

28
- 0242327036
- ZPBBDJ 0340-224X 10.1007/BF01325501
- P. Allen and J. Hui, Z. Phys. B ZPBBDJ 0340-224X 10.1007/BF01325501 37, 33 (1980).
- (1980) Z. Phys. B , vol.37 , pp. 33
- Allen, P.¹ Hui, J.²

29
- 0004097995
- Butterworth-Heinemann, Oxford
- L. D. Landau, L. P. Pitaevskii, E. M. Lifshitz, and A. M. Kosevich, Theory of Elasticity, 3rd ed. (Butterworth-Heinemann, Oxford, 1986).
- (1986) Theory of Elasticity
- Landau, L.D.¹ Pitaevskii, L.P.² Lifshitz, E.M.³ Kosevich, A.M.⁴

30
- 24844452621
- PRBMDO 1098-0121 10.1103/PhysRevB.32.3780
- O. H. Nielsen and R. M. Martin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.32.3780 32, 3780 (1985).
- (1985) Phys. Rev. B , vol.32 , pp. 3780
- Nielsen, O.H.¹ Martin, R.M.²

31
- 10644250257
- PHRVAO 0031-899X 10.1103/PhysRev.136.B864
- P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

32
- 0042113153
- PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

33
- 20544463457
- PRBMDO 1098-0121 10.1103/PhysRevB.41.7892
- D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.41.7892 41, 7892 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

34
- 20144380685
- First principles methods using CASTEP
- DOI 10.1524/zkri.220.5.567.65075
- S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. I. J. Probert, K. Refson, and M. C. Payne, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.567.65075 220, 567 (2005). (Pubitemid 40778242)
- (2005) Zeitschrift fur Kristallographie , vol.220 , Issue.5-6 , pp. 567-570
- Clark, S.J.¹ Segall, M.D.² Pickard, C.J.³ Hasnip, P.J.⁴ Probert, M.I.J.⁵ Refson, K.⁶ Payne, M.C.⁷

35
- 1842816907
- PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
- H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

36
- 33744691386
- PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
- D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

37
- 26144450583
- PRBMDO 1098-0121 10.1103/PhysRevB.23.5048
- J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

38
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

39
- 26844552029
- PRLTAO 0031-9007 10.1103/PhysRevLett.40.950
- H. Wendel and R. M. Martin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.40.950 40, 950 (1978).
- (1978) Phys. Rev. Lett. , vol.40 , pp. 950
- Wendel, H.¹ Martin, R.M.²

40
- 33744678467
- PRBMDO 1098-0121 10.1103/PhysRevB.43.7231
- P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.7231 43, 7231 (1991).
- (1991) Phys. Rev. B , vol.43 , pp. 7231
- Giannozzi, P.¹ De Gironcoli, S.² Pavone, P.³ Baroni, S.⁴

41
- 0035535380
- RMPHAT 0034-6861 10.1103/RevModPhys.73.515
- S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
- (2001) Rev. Mod. Phys. , vol.73 , pp. 515
- Baroni, S.¹ De Gironcoli, S.² Dal Corso, A.³ Giannozzi, P.⁴

42
- 0004060193
- John Wiley & Sons, Paris
- C. Cohen-Tannoudji, B. Diu, and F. Laloë, Quantum Mechanics, Vol. 2 (John Wiley & Sons, Paris, 1977).
- (1977) Quantum Mechanics
- Cohen-Tannoudji, C.¹ Diu, B.² Laloë, F.³

43
- 72449131062
- PRBMDO 1098-0121 10.1103/PhysRevB.80.165109
- S. J. Nolan, M. J. Gillan, D. Alfè, N. L. Allan, and F. R. Manby, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.165109 80, 165109 (2009).
- (2009) Phys. Rev. B , vol.80 , pp. 165109
- Nolan, S.J.¹ Gillan, M.J.² Alfè, D.³ Allan, N.L.⁴ Manby, F.R.⁵

44
- 0001545892
- 1364-5021 10.1098/rspa.1964.0025
- C. D. Clark, P. J. Dean, and P. V. Harris, Proc. R. Soc. London A 1364-5021 10.1098/rspa.1964.0025 277, 312 (1964).
- (1964) Proc. R. Soc. London A , vol.277 , pp. 312
- Clark, C.D.¹ Dean, P.J.² Harris, P.V.³

45
- 10444289109
- SSCOA4 0038-1098 10.1016/j.ssc.2004.10.028
- M. Cardona, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2004.10. 028 133, 3 (2005).
- (2005) Solid State Commun. , vol.133 , pp. 3
- Cardona, M.¹

46
- 0001655912
- PRBMDO 1098-0121 10.1103/PhysRevB.45.3376
- S. Zollner, M. Cardona, and S. Gopalan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.3376 45, 3376 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 3376
- Zollner, S.¹ Cardona, M.² Gopalan, S.³

47
- 36049057570
- PHRVAO 0031-899X 10.1103/PhysRev.141.789
- M. L. Cohen and T. K. Bergstresser, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.141.789 141, 789 (1966).
- (1966) Phys. Rev. , vol.141 , pp. 789
- Cohen, M.L.¹ Bergstresser, T.K.²

48
- 0023308545
- 2 chalcopyrite compounds
- DOI 10.1016/0038-1098(87)90727-7
- L. Artus and Y. Bertrand, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(87)90727-7 61, 733 (1987). (Pubitemid 18581007)
- (1987) Solid State Communications , vol.61 , Issue.11 , pp. 733-736
- Artus, L.¹ Bertrand, Y.²

49
- 84870479297
- PRBMDO 1098-0121 10.1103/PhysRevB.86.195208
- J. Bhosale, A. K. Ramdas, A. Burger, A. Muñoz, A. H. Romero, M. Cardona, R. Lauck, and R. K. Kremer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.195208 86, 195208 (2012).
- (2012) Phys. Rev. B , vol.86 , pp. 195208
- Bhosale, J.¹ Ramdas, A.K.² Burger, A.³ Muñoz, A.⁴ Romero, A.H.⁵ Cardona, M.⁶ Lauck, R.⁷ Kremer, R.K.⁸

50
- 35949017831
- PRLTAO 0031-9007 10.1103/PhysRevLett.56.2415
- R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.56.2415 56, 2415 (1986).
- (1986) Phys. Rev. Lett. , vol.56 , pp. 2415
- Godby, R.W.¹ Schlüter, M.² Sham, L.J.³

51
- 33748908357
- PRBMDO 1098-0121 10.1103/PhysRevB.37.10159
- R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.37.10159 37, 10159 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 10159
- Godby, R.W.¹ Schlüter, M.² Sham, L.J.³

52
- 4244176615
- PRLTAO 0031-9007 10.1103/PhysRevLett.62.2160
- F. Gygi and A. Baldereschi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.2160 62, 2160 (1989).
- (1989) Phys. Rev. Lett. , vol.62 , pp. 2160
- Gygi, F.¹ Baldereschi, A.²

53
- 83655191169
- PRLTAO 0031-9007 10.1103/PhysRevLett.107.255501
- E. Cannuccia and A. Marini, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.255501 107, 255501 (2011).
- (2011) Phys. Rev. Lett. , vol.107 , pp. 255501
- Cannuccia, E.¹ Marini, A.²

54
- 84879641364
- EPJBFY 1434-6028 10.1140/epjb/e2012-30105-4
- E. Cannuccia and A. Marini, Eur. Phys. J. B EPJBFY 1434-6028 10.1140/epjb/e2012-30105-4 85, 320 (2012).
- (2012) Eur. Phys. J. B , vol.85 , pp. 320
- Cannuccia, E.¹ Marini, A.²

55
- 0016424516
- JAPIAU 0021-8979 10.1063/1.321373
- G. A. Slack and S. F. Bartram, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.321373 46, 89 (1975).
- (1975) J. Appl. Phys. , vol.46 , pp. 89
- Slack, G.A.¹ Bartram, S.F.²

56
- 0004545204
- JPSOAW 0022-3719 10.1088/0022-3719/15/31/009
- B. W. James and H. Kheyrandish, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/15/31/009 15, 6321 (1982).
- (1982) J. Phys. C , vol.15 , pp. 6321
- James, B.W.¹ Kheyrandish, H.²

57
- 0035529353
- RMPHAT 0034-6861 10.1103/RevModPhys.73.33
- W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.33 73, 33 (2001).
- (2001) Rev. Mod. Phys. , vol.73 , pp. 33
- Foulkes, W.M.C.¹ Mitas, L.² Needs, R.J.³ Rajagopal, G.⁴

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