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Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 21, 2008, Pages

First-principles theory of the coherency strain, defect energetics, and solvus boundaries in the PbTe-AgSbTe2 system

(3) Barabash, S V a Ozolins, V a Wolverton, C b

a UNIVERSITY OF CALIFORNIA (United States)

b Northwestern University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 58149473316 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.78.214109 Document Type: Article

Times cited : (27)

References (39)

1
- 0842331448
- 10.1126/science.1092963
- K. F. Hsu, S. Loo, F. Guo, W. Chen, J. S. Dyck, C. Uher, T. Hogan, E. K. Polychroniadis, and M. G. Kanatzidis, Science 303, 818 (2004). 10.1126/science.1092963
- (2004) Science , vol.303 , pp. 818
- Hsu, K.F.¹ Loo, S.² Guo, F.³ Chen, W.⁴ Dyck, J.S.⁵ Uher, C.⁶ Hogan, T.⁷ Polychroniadis, E.K.⁸ Kanatzidis, M.G.⁹

2
- 28344455812
- H. Fleischmann, Z. Naturforsch. B 16a, 765 (1961), in German.
- (1961) Z. Naturforsch. B , vol.16 , pp. 765
- Fleischmann, H.¹

3
- 84983830611
- L. Borisova, S. Decheva, S. Dimitrova, and P. Moraliiskii, Annual of Sofia University 65, 167 (1971)
- (1971) Annual of Sofia University , vol.65 , pp. 167
- Borisova, L.¹ Decheva, S.² Dimitrova, S.³ Moraliiskii, P.⁴

4
- 0018465898
- 10.1002/pssa.2210530149;
- L. Borisova and S. Dimitrova, Phys. Status Solidi A 53, 403 (1979) 10.1002/pssa.2210530149
- (1979) Phys. Status Solidi a , vol.53 , pp. 403
- Borisova, L.¹ Dimitrova, S.²

5
- 0021616162
- 10.1002/pssb.2221260247
- L. Borisova, Phys. Status Solidi B 126, K155 (1984). 10.1002/pssb. 2221260247
- (1984) Phys. Status Solidi B , vol.126 , pp. 155
- Borisova, L.¹

6
- 0343567815
- R. G. Maier, Z. Metallkd. 54, 311 (1963), in German.
- (1963) Z. Metallkd. , vol.54 , pp. 311
- Maier, R.G.¹

7
- 21244494925
- H. Rodot, Compt. Rend. 249, 1872 (1959), in French.
- (1959) Compt. Rend. , vol.249 , pp. 1872
- Rodot, H.¹

8
- 0002653848
- 10.1107/S0365110X59000135
- S. Geller and J. H. Wenick, Acta Crystallogr. 12, 46 (1959). 10.1107/S0365110X59000135
- (1959) Acta Crystallogr. , vol.12 , pp. 46
- Geller, S.¹ Wenick, J.H.²

9
- 21244481598
- 10.1021/ja051653o
- E. Quarez, K. F. Hsu, R. Pcionek, N. Frangis, E. K. Polychroniadis, and M. G. Kanatzidis, J. Am. Chem. Soc. 127, 9177 (2005). 10.1021/ja051653o
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 9177
- Quarez, E.¹ Hsu, K.F.² Pcionek, R.³ Frangis, N.⁴ Polychroniadis, E.K.⁵ Kanatzidis, M.G.⁶

10
- 28344435142
- 10.1063/1.2056590
- N. Chen, F. Gascoin, and G. J. Snyder, Appl. Phys. Lett. 87, 171903 (2005). 10.1063/1.2056590
- (2005) Appl. Phys. Lett. , vol.87 , pp. 171903
- Chen, N.¹ Gascoin, F.² Snyder, G.J.³

11
- 29544437206
- 10.1103/PhysRevB.72.174113
- H. Lin, E. S. Bozin, S. J. L. Billinge, E. Quarez, and M. G. Kanatzidis, Phys. Rev. B 72, 174113 (2005). 10.1103/PhysRevB.72.174113
- (2005) Phys. Rev. B , vol.72 , pp. 174113
- Lin, H.¹ Bozin, E.S.² Billinge, S.J.L.³ Quarez, E.⁴ Kanatzidis, M.G.⁵

12
- 35148887114
- 10.1103/PhysRevLett.99.156403
- K. Hoang, S. D. Mahanti, J. R. Salvador, and M. G. Kanatzidis, Phys. Rev. Lett. 99, 156403 (2007). 10.1103/PhysRevLett.99.156403
- (2007) Phys. Rev. Lett. , vol.99 , pp. 156403
- Hoang, K.¹ Mahanti, S.D.² Salvador, J.R.³ Kanatzidis, M.G.⁴

13
- 54849440419
- 10.1103/PhysRevLett.101.155704
- S. V. Barabash, V. Ozolins, and C. Wolverton, Phys. Rev. Lett. 101, 155704 (2008). 10.1103/PhysRevLett.101.155704
- (2008) Phys. Rev. Lett. , vol.101 , pp. 155704
- Barabash, S.V.¹ Ozolins, V.² Wolverton, C.³

14
- 33744691386
- 10.1103/PhysRevLett.45.566;
- D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980) 10.1103/PhysRevLett.45.566
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

15
- 26144450583
- 10.1103/PhysRevB.23.5048
- J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). 10.1103/PhysRevB.23.5048
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

16
- 10644250257
- 10.1103/PhysRev.136.B864;
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964) 10.1103/PhysRev.136.B864
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

17
- 0042113153
- 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

18
- 25744460922
- 10.1103/PhysRevB.50.17953;
- P. E. Blöchl, Phys. Rev. B 50, 17953 (1994) 10.1103/PhysRevB.50. 17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

19
- 0011236321
- 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

20
- 35949007146
- 10.1103/PhysRevB.48.13115;
- G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993) 10.1103/PhysRevB.48.13115
- (1993) Phys. Rev. B , vol.48 , pp. 13115
- Kresse, G.¹ Hafner, J.²

21
- 0030190741
- 10.1016/0927-0256(96)00008-0;
- G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996) 10.1016/0927-0256(96)00008-0
- (1996) Comput. Mater. Sci. , vol.6 , pp. 15
- Kresse, G.¹ Furthmüller, J.²

22
- 2442537377
- 10.1103/PhysRevB.54.11169
- G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

23
- 58149476625
- See Ref., especially EPAPS Document No. E-PRLTAO-101-007839. For more information on EPAPS, see
- See Ref., especially EPAPS Document No. E-PRLTAO-101-007839. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html

24
- 58149457380
- Ph.D. thesis, University of Paris
- A. Finel, Ph.D. thesis, University of Paris, 1987
- (1987)
- Finel, A.¹

25
- 0000276048
- 10.1103/PhysRevB.44.512;
- Z. W. Lu, S.-H. Wei, A. Zunger, S. Frota-Pessoa, and L. G. Ferreira, Phys. Rev. B 44, 512 (1991) 10.1103/PhysRevB.44.512
- (1991) Phys. Rev. B , vol.44 , pp. 512
- Lu, Z.W.¹ Wei, S.-H.² Zunger, A.³ Frota-Pessoa, S.⁴ Ferreira, L.G.⁵

26
- 0032121582
- 10.1149/1.1838653
- C. Wolverton and A. Zunger, J. Electrochem. Soc. 145, 2424 (1998). 10.1149/1.1838653
- (1998) J. Electrochem. Soc. , vol.145 , pp. 2424
- Wolverton, C.¹ Zunger, A.²

27
- 48549112275
- 10.1016/0378-4371(84)90096-7
- J. M. Sanchez, F. Ducastelle, and D. Gratias, Physica A 128, 334 (1984). 10.1016/0378-4371(84)90096-7
- (1984) Physica a , vol.128 , pp. 334
- Sanchez, J.M.¹ Ducastelle, F.² Gratias, D.³

28
- 58149461855
- We also performed an explicit calculation for (111) epitaxial deformation of D4 and found that the results agree with the elastic curves fitted to L 11 data within the accuracy of the fit.
- We also performed an explicit calculation for (111) epitaxial deformation of D4 and found that the results agree with the elastic curves fitted to L 11 data within the accuracy of the fit.

29
- 0003781076
- See, e.g., Clarendon, Oxford
- See, e.g., J. F. Nye, Physical Properties of Crystals (Clarendon, Oxford, 1957).
- (1957) Physical Properties of Crystals
- Nye, J.F.¹

30
- 0036853423
- 10.1088/0965-0393/10/6/306;
- A. Zunger, L. Wang, G. Hart, and M. Sanati, Modell. Simul. Mater. Sci. Eng. 10, 685 (2002) 10.1088/0965-0393/10/6/306
- (2002) Modell. Simul. Mater. Sci. Eng. , vol.10 , pp. 685
- Zunger, A.¹ Wang, L.² Hart, G.³ Sanati, M.⁴

31
- 0000443415
- 10.1103/PhysRevB.57.6427
- V. Ozolins, C. Wolverton, and A. Zunger, Phys. Rev. B 57, 6427 (1998). 10.1103/PhysRevB.57.6427
- (1998) Phys. Rev. B , vol.57 , pp. 6427
- Ozolins, V.¹ Wolverton, C.² Zunger, A.³

32
- 0030109403
- 10.1016/0022-0248(95)00918-3
- D. J. Bottomley and P. Fons, J. Cryst. Growth 160, 406 (1996). 10.1016/0022-0248(95)00918-3
- (1996) J. Cryst. Growth , vol.160 , pp. 406
- Bottomley, D.J.¹ Fons, P.²

33
- 0029735576
- 10.1109/58.484463
- A. Ballato, IEEE Trans. Ultrason. Ferroelectr. Freq. Control 43, 56 (1996). 10.1109/58.484463
- (1996) IEEE Trans. Ultrason. Ferroelectr. Freq. Control , vol.43 , pp. 56
- Ballato, A.¹

34
- 42749104067
- The calculations were performed with 2×2×2 and 3×3×3 samplings of the Brillouin zone for the phonon q vectors. For the details of the method, see 10.1103/PhysRevB.69.144109
- The calculations were performed with 2×2×2 and 3×3×3 samplings of the Brillouin zone for the phonon q vectors. For the details of the method, see C. Wolverton, V. Ozolins, and M. Asta, Phys. Rev. B 69, 144109 (2004). 10.1103/PhysRevB.69.144109
- (2004) Phys. Rev. B , vol.69 , pp. 144109
- Wolverton, C.¹ Ozolins, V.² Asta, M.³

35
- 0000825768
- 10.1103/PhysRevB.46.12587;
- D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger, Phys. Rev. B 46, 12587 (1992) 10.1103/PhysRevB.46.12587
- (1992) Phys. Rev. B , vol.46 , pp. 12587
- Laks, D.B.¹ Ferreira, L.G.² Froyen, S.³ Zunger, A.⁴

36
- 0033893887
- 10.1088/0953-8984/12/12/314
- C. Wolverton, V. Ozolins, and A. Zunger, J. Phys.: Condens. Matter 12, 2749 (2000). 10.1088/0953-8984/12/12/314
- (2000) J. Phys.: Condens. Matter , vol.12 , pp. 2749
- Wolverton, C.¹ Ozolins, V.² Zunger, A.³

37
- 58149467272
- L 11 has a nonzero structure factor | S (k) | 2 =1 for k at a single L point of the Brillouin zone while D4 has | S (k) | 2 =1/4 at all the four L points, resulting in the same constituent strain energy within the formalism of Ref..
- L 11 has a nonzero structure factor | S (k) | 2 =1 for k at a single L point of the Brillouin zone while D4 has | S (k) | 2 =1/4 at all the four L points, resulting in the same constituent strain energy within the formalism of Ref..

38
- 0003482692
- CRC, Boca Raton, FL
- D. A. Porter and K. E. Easterling, Phase Transformations in Metals and Alloys (CRC, Boca Raton, FL, 1992).
- (1992) Phase Transformations in Metals and Alloys
- Porter, D.A.¹ Easterling, K.E.²

39
- 0028445061
- 10.1016/0956-7151(94)90036-1
- M. E. Thompson, C. S. Su, and P. W. Voorhees, Acta Metall. Mater. 42, 2107 (1994). 10.1016/0956-7151(94)90036-1
- (1994) Acta Metall. Mater. , vol.42 , pp. 2107
- Thompson, M.E.¹ Su, C.S.² Voorhees, P.W.³

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