SCOPUS 정보 검색 플랫폼

Physica Status Solidi (B) Basic Research

Volumn 248, Issue 3, 2011, Pages 527-536

Accelerating GW calculations with optimal polarizability basis

(6) Umari, P a Qian, X b Marzari, N b Stenuit, G a Giacomazzi, L a,c Baroni, S a,c

a IOM CNR LABORATORIO TASC (Italy)

b Massachusetts Institute of Technology Cambridge (United States)

c SISSA (Italy)

Author keywords

Density functional theory; GW approximation; Silicon nitride

Indexed keywords

EID: 78651316029 PISSN: 03701972 EISSN: 15213951 Source Type: Journal
DOI: 10.1002/pssb.201046264 Document Type: Article

Times cited : (21)

References (47)

1
- 21244471846
- Electronic Structure
- See e.g., (Cambridge University Press, Cambridge, and references quoted therein
- See e.g., R. M. Martin, Electronic Structure (Cambridge University Press, Cambridge, 2004) and references quoted therein.
- (2004)
- Martin, R.M.¹

2
- 0012597289
- Time-Dependent Density Functional Theory, Lecture Notes in Physics, (Springer-Verlag, Berlin, Heidelberg, 2006)
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984). M. A. L. Marques, C. L. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E. K. U. Gross, Time-Dependent Density Functional Theory, Lecture Notes in Physics, Vol. 706 (Springer-Verlag, Berlin, Heidelberg, 2006).
- (1984) Phys. Rev. Lett. , vol.52-706 , pp. 997
- Runge, E.¹ Gross, E.K.U.² Marques, M.A.L.³ Ullrich, C.L.⁴ Nogueira, F.⁵ Rubio, A.⁶ Burke, K.⁷ Gross, E.K.U.⁸

3
- 22144469121
- L. Hedin and S. Lundqvist, Solid State Phys. 23, 1 (1969).
- (1969) Solid State Phys. , vol.23 , pp. 1
- Hedin, L.¹ Lundqvist, S.²

4
- 1542388160
- F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. 61, 237 (1998).
- (1998) Rep. Prog. Phys. , vol.61 , pp. 237
- Aryasetiawan, F.¹ Gunnarsson, O.²

5
- 36149016819
- L. Hedin, Phys. Rev. 139, 796 (1965).
- (1965) Phys. Rev. , vol.139 , pp. 796
- Hedin, L.¹

6
- 0001110771
- M. S. Hybertsen and S. G. Louie, Phys. Rev. Lett. 55, 1418 (1985).
- (1985) Phys. Rev. Lett. , vol.55 , pp. 1418
- Hybertsen, M.S.¹ Louie, S.G.²

7
- 0036057017
- G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2001).
- (2001) Rev. Mod. Phys. , vol.74 , pp. 601
- Onida, G.¹ Reining, L.² Rubio, A.³

8
- 66749165989
- P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B 78, 201104 (2009).
- (2009) Phys. Rev. B , vol.78 , pp. 201104
- Umari, P.¹ Stenuit, G.² Baroni, S.³

9
- 0000334782
- L. Reining, G. Onida, and R. W. Godby, Phys. Rev. B 56, R4301 (1997).
- (1997) Phys. Rev. B , vol.56
- Reining, L.¹ Onida, G.² Godby, R.W.³

10
- 0034159008
- L. Steinbeck, A. Rubio, L. Reining, M. Torrent, I. D. Whited, and R. W. Godby, Comput. Phys. Commun. 125, 105 (2000).
- (2000) Comput. Phys. Commun. , vol.125 , pp. 105
- Steinbeck, L.¹ Rubio, A.² Reining, L.³ Torrent, M.⁴ Whited, I.D.⁵ Godby, R.W.⁶

11
- 50449089375
- F. Bruneval and X. Gonze, Phys. Rev. B 78, 085125 (2008).
- (2008) Phys. Rev. B , vol.78 , pp. 085125
- Bruneval, F.¹ Gonze, X.²

12
- 4243690324
- N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997).
- (1997) Phys. Rev. B , vol.56 , pp. 12847
- Marzari, N.¹ Vanderbilt, D.²

13
- 0037080517
- I. Souza, N. Marzari, and D. Vanderbilt, Phys. Rev. B 65, 035109 (2001).
- (2001) Phys. Rev. B , vol.65 , pp. 035109
- Souza, I.¹ Marzari, N.² Vanderbilt, D.³

14
- 0042528905
- F. Gygi, J.-L. Fattebert, and E. Schwegler, Comput. Phys. Commun. 155, 1 (2003).
- (2003) Comput. Phys. Commun. , vol.155 , pp. 1
- Gygi, F.¹ Fattebert, J.-L.² Schwegler, E.³

15
- 77954992522
- P. Umari, G. Stenuit, and S. Baroni, Phys. Rev. B 81, 115104 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 115104
- Umari, P.¹ Stenuit, G.² Baroni, S.³

16
- 43249127492
- R. Shaltaf, G.-M. Rignanese, X. Gonze, F. Giustino, and A. Pasquarello, Phys. Rev. Lett. 100, 186401 (2008).
- (2008) Phys. Rev. Lett. , vol.100 , pp. 186401
- Shaltaf, R.¹ Rignanese, G.-M.² Gonze, X.³ Giustino, F.⁴ Pasquarello, A.⁵

17
- 0000193939
- Comput. Phys. Commun. 117, 211 (1999)
- H. N. Rojas, R. W. Godby, and R. J. Needs, Phys. Rev. Lett. 74, 1827 (1995). M. M. Rieger, L. Steinbeck, I. D. White, H. N. Rojas, R. W. Godby, Comput. Phys. Commun. 117, 211 (1999).
- (1995) Phys. Rev. Lett. , vol.74 , pp. 1827
- Rojas, H.N.¹ Godby, R.W.² Needs, R.J.³ Rieger, M.M.⁴ Steinbeck, L.⁵ White, I.D.⁶ Rojas, H.N.⁷ Godby, R.W.⁸

18
- 0000101589
- G. Onida, L. Reining, R. W. Godby, R. Del Sole, and W. Andreoni, Phys. Rev. Lett. 75, 818 (1995).
- (1995) Phys. Rev. Lett. , vol.75 , pp. 818
- Onida, G.¹ Reining, L.² Godby, R.W.³ Del Sole, R.⁴ Andreoni, W.⁵

19
- 0001666291
- S. Baroni and R. Resta, Phys. Rev. B 33, 7017 (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 7017
- Baroni, S.¹ Resta, R.²

20
- 0000111746
- S. Baroni, P. Giannozzi, and A. Testa, Phys. Rev. Lett. 58, 1861 (1987).
- (1987) Phys. Rev. Lett. , vol.58 , pp. 1861
- Baroni, S.¹ Giannozzi, P.² Testa, A.³

21
- 4143141420
- P. Umari and A. Pasquarello, Phys. Rev. B 68, 085114 (2003).
- (2003) Phys. Rev. B , vol.68 , pp. 085114
- Umari, P.¹ Pasquarello, A.²

22
- 44349158462
- J. Spencer and A. Alavi, Phys. Rev. B 77, 193110 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 193110
- Spencer, J.¹ Alavi, A.²

23
- 70349568754
- P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009).
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 395502
- Giannozzi, P.¹ Baroni, S.² Bonini, N.³ Calandra, M.⁴ Car, R.⁵ Cavazzoni, C.⁶ Ceresoli, D.⁷ Chiarotti, G.L.⁸ Cococcioni, M.⁹ Dabo, I.¹⁰ Dal Corso, A.¹¹ de Gironcoli, S.¹² Fabris, S.¹³ Fratesi, G.¹⁴ Gebauer, R.¹⁵ Gerstmann, U.¹⁶ Gougoussis, C.¹⁷ Kokalj, A.¹⁸ Lazzeri, M.¹⁹ Martin-Samos, L.²⁰ more..

24
- 20544463457
- D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

25
- 26144450583
- J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

26
- 0001712916
- N. O. Lipari, C. B. Duke, and L. Pietronero, J. Chem. Phys. 65, 1165 (1976).
- (1976) J. Chem. Phys. , vol.65 , pp. 1165
- Lipari, N.O.¹ Duke, C.B.² Pietronero, L.³

27
- 11944249966
- Phys. Rev. B 52, 12690 (1995)
- J. Sarnthein, A. Pasquarello, and R. Car, Phys. Rev. Lett. 74, 4682 (1995); Phys. Rev. B 52, 12690 (1995).
- (1995) Phys. Rev. Lett. , vol.74 , pp. 4682
- Sarnthein, J.¹ Pasquarello, A.² Car, R.³

28
- 0037906742
- and, Mater. Sci. Rep. 1, 65 (1986)
- F. J. Himpsel, Surf. Sci. 168, 764 (1986). F. J. Grunthaner and P. J. Grunthaner, Mater. Sci. Rep. 1, 65 (1986).
- (1986) Surf. Sci. , vol.168 , pp. 764
- Himpsel, F.J.¹ Grunthaner, F.J.² Grunthaner, P.J.³

29
- 0004524545
- Phys. Rev. B 41, 10727 (1990)
- R. N. Katz, Science 208, 841 (1980). A. Y. Liu, M. L. Cohen, Phys. Rev. B 41, 10727 (1990).
- (1980) Science , vol.208 , pp. 841
- Katz, R.N.¹ Liu, A.Y.² Cohen, M.L.³

30
- 36448999440
- Y. Ma, T. Yasuda, and G. Lucovsky, Appl. Phys. Lett. 64, 2226 (1994).
- (1994) Appl. Phys. Lett. , vol.64 , pp. 2226
- Ma, Y.¹ Yasuda, T.² Lucovsky, G.³

31
- 0032633731
- J. Appl. Phys. 89, 2791 (2001)
- H. Aozasa, I. F. Ujiwara, A. Nakamura, and Y. Komatsu, Jpn. J. Appl. Phys. 38, 1441 (1999). H. Bachhofer, H. Reisinger, E. Bertagnolli, and H. von Philipsborn, J. Appl. Phys. 89, 2791 (2001).
- (1999) Jpn. J. Appl. Phys. , vol.38 , pp. 1441
- Aozasa, H.¹ Ujiwara, I.F.² Nakamura, A.³ Komatsu, Y.⁴ Bachhofer, H.⁵ Reisinger, H.⁶ Bertagnolli, E.⁷ von Philipsborn, H.⁸

32
- 33845609588
- IEEE J. Sel. Top. Quantum Electon. 12, 1628 (2006), Appl. Phys. Lett. 88, 183103 (2006)
- L. Dal Negro, S. Hamel, N. Zaitseva, J. H. Yi, A. Williamson, M. Stolfi, J. Michel, G. Galli, and L. C. Kimerling, IEEE J. Sel. Top. Quantum Electron. 12, 1151 (2006). L. Dal Negro, J. H. Yi, J. Michel, L. C. Kimerling, S. Hamel, A. Williamson, G. Galli, IEEE J. Sel. Top. Quantum Electon. 12, 1628 (2006). L. Dal Negro, J. H. Yi, L. C. Kimerling, S. Hamel, A. Williamson, G. Galli, Appl. Phys. Lett. 88, 183103 (2006).
- (2006) IEEE J. Sel. Top. Quantum Electron. , vol.12 , pp. 1151
- Dal Negro, L.¹ Hamel, S.² Zaitseva, N.³ Yi, J.H.⁴ Williamson, A.⁵ Stolfi, M.⁶ Michel, J.⁷ Galli, G.⁸ Kimerling, L.C.⁹ Dal Negro, L.¹⁰ Yi, J.H.¹¹ Michel, J.¹² Kimerling, L.C.¹³ Hamel, S.¹⁴ Williamson, A.¹⁵ Galli, G.¹⁶ Dal Negro, L.¹⁷ Yi, J.H.¹⁸ Kimerling, L.C.¹⁹ Hamel, S.²⁰ Williamson, A.²¹ Galli, G.²² more..

33
- 71449118565
- L. Giacomazzi and P. Umari, Phys. Rev. B 80, 144201 (2009).
- (2009) Phys. Rev. B , vol.80 , pp. 144201
- Giacomazzi, L.¹ Umari, P.²

34
- 0035501004
- P. Kroll, J. Non-Cryst. Solids 293-295, 238 (2001).
- (2001) J. Non-Cryst. Solids , vol.293-295 , pp. 238
- Kroll, P.¹

35
- 0004005306
- Physics of Semiconductor Devices
- John Wiley & Sons, Inc., New York.
- S. M. Sze, Physics of Semiconductor Devices (John Wiley & Sons, Inc., New York, 1981).
- (1981)
- Sze, S.M.¹

36
- 4243606192
- R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

37
- 84943502952
- Phys. Rev. A 31, 1965 (1985)
- S. Nosé, Mol. Phys. 52, 255 (1984). W. G. Hoover, Phys. Rev. A 31, 1965 (1985).
- (1984) Mol. Phys. , vol.52 , pp. 255
- Nosé, S.¹ Hoover, W.G.²

38
- 17644442582
- Braz. J. Phys. 32, 436 (2002)
- J. F. Justo, F. de BritoMota, and A. Fazzio, Phys. Rev. B 65, 073202 (2002). F. de Brito Mota, J. F. Justo, A. Fazzio, Braz. J. Phys. 32, 436 (2002).
- (2002) Phys. Rev. B , vol.65 , pp. 073202
- Justo, J.F.¹ de BritoMota, F.² Fazzio, A.³ de Brito Mota, F.⁴ Justo, J.F.⁵ Fazzio, A.⁶

39
- 0018736775
- M. Misawa, T. Fukunaga, K. Niihara, T. Hirai, and K. Suzuki, J. Non-Cryst. Solids 34, 313 (1979).
- (1979) J. Non-Cryst. Solids , vol.34 , pp. 313
- Misawa, M.¹ Fukunaga, T.² Niihara, K.³ Hirai, T.⁴ Suzuki, K.⁵

40
- 0000700835
- Phys. Rev. Lett. 96, 216403 (2006)
- N. Binggeli, N. Troullier, J. L. Martins, and J. R. Chelikowsky, Phys. Rev. B 44, 4771 (1991). F. Giustino, A. Pasquarello, Phys. Rev. Lett. 96, 216403 (2006).
- (1991) Phys. Rev. B , vol.44 , pp. 4771
- Binggeli, N.¹ Troullier, N.² Martins, J.L.³ Chelikowsky, J.R.⁴ Giustino, F.⁵ Pasquarello, A.⁶

41
- 33750439836
- L. Giacomazzi, P. Umari, and A. Pasquarello, Phys. Rev. B 74, 155208 (2006).
- (2006) Phys. Rev. B , vol.74 , pp. 155208
- Giacomazzi, L.¹ Umari, P.² Pasquarello, A.³

42
- 0037947433
- F. Alvarez and A. A. Valladares, Rev. Mex. Fís. 48, 528 (2002).
- (2002) Rev. Mex. Fís. , vol.48 , pp. 528
- Alvarez, F.¹ Valladares, A.A.²

43
- 38349186585
- A. N. Sorokin, A. A. Karpushin, V. A. Gritsenko, and H. Wong, J. Non-Cryst. Solids 354, 1531 (2008).
- (2008) J. Non-Cryst. Solids , vol.354 , pp. 1531
- Sorokin, A.N.¹ Karpushin, A.A.² Gritsenko, V.A.³ Wong, H.⁴

44
- 0001614074
- R. Kärcher, L. Ley, and R. L. Johnson, Phys. Rev. B 30, 1896 (1984).
- (1984) Phys. Rev. B , vol.30 , pp. 1896
- Kärcher, R.¹ Ley, L.² Johnson, R.L.³

45
- 0011478591
- Opt. Mater. 23, 93 (2003)
- L. Martn-Moreno, E. Martnez, J. A. Vergés, and F. Yndurain, Phys. Rev. B 35, 9683 (1987). S.-Y. Lin, Opt. Mater. 23, 93 (2003).
- (1987) Phys. Rev. B , vol.35 , pp. 9683
- Martn-Moreno, L.¹ Martnez, E.² Vergés, J.A.³ Yndurain, F.⁴ Lin, S.-Y.⁵

46
- 0017453742
- J. Bauer, Phys. Status Solidi 39, 411 (1977).
- (1977) Phys. Status Solidi , vol.39 , pp. 411
- Bauer, J.¹

47
- 0004319764
- Physics of Amorphous Materials
- Longman, New York.
- S. R. Elliott, Physics of Amorphous Materials (Longman, New York, 1984), p. 194.
- (1984) , pp. 194
- Elliott, S.R.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.