SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 17, 2013, Pages

Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation

(2) Peng, Haowei a Lany, Stephan a

a NATIONAL RENEWABLE ENERGY LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84878552476 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.87.174113 Document Type: Article

Times cited : (58)

References (49)

1
- 42749098615
- First-principles study of wurtzite-structure MnO
- DOI 10.1103/PhysRevB.70.205104, 205104
- P. Gopal, N. A. Spaldin, and U. V. Waghmare, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.205104 70, 205104 (2004). (Pubitemid 40153503)
- (2004) Physical Review B - Condensed Matter and Materials Physics , vol.70 , Issue.20 , pp. 2051041-2051048
- Gopal, P.¹ Spaldin, N.A.² Waghmare, U.V.³

2
- 84861797431
- PRBMDO 1098-0121 10.1103/PhysRevB.85.201202
- H. Peng and S. Lany, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85. 201202 85, 201202 (2012).
- (2012) Phys. Rev. B , vol.85 , pp. 201202
- Peng, H.¹ Lany, S.²

3
- 84861033889
- 1932-7447 10.1021/jp300590d
- D. K. Kanan and E. A. Carter, J. Phys. Chem. C 1932-7447 10.1021/jp300590d 116, 9876 (2012).
- (2012) J. Phys. Chem. C , vol.116 , pp. 9876
- Kanan, D.K.¹ Carter, E.A.²

4
- 84876586843
- 2050-7488 10.1039/c2ta00816e
- M. C. Toroker and E. A. Carter, J. Mater. Chem. A 2050-7488 10.1039/c2ta00816e 1, 2474 (2013).
- (2013) J. Mater. Chem. A , vol.1 , pp. 2474
- Toroker, M.C.¹ Carter, E.A.²

5
- 84861378609
- JACSAT 0002-7863 10.1021/ja302440y
- K. Nam, Y. Kim, Y. Jo, and S. Lee, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja302440y 134, 8392 (2012).
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 8392
- Nam, K.¹ Kim, Y.² Jo, Y.³ Lee, S.⁴

6
- 78149303622
- PRBMDO 1098-0121 10.1103/PhysRevB.82.165109
- A. Schrön, C. Rödl, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.165109 82, 165109 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 165109
- Schrön, A.¹ Rödl, C.² Bechstedt, F.³

7
- 0001486791
- PRBMDO 1098-0121 10.1103/PhysRevB.57.1505
- S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.1505 57, 1505 (1998).
- (1998) Phys. Rev. B , vol.57 , pp. 1505
- Dudarev, S.L.¹ Botton, G.A.² Savrasov, S.Y.³ Humphreys, C.J.⁴ Sutton, A.P.⁵

8
- 0037799714
- JCPSA6 0021-9606 10.1063/1.1564060
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 8207
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

9
- 38849107422
- PRBMDO 1098-0121 10.1103/PhysRevB.77.045136
- J. Harl and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77. 045136 77, 045136 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 045136
- Harl, J.¹ Kresse, G.²

10
- 77956062988
- 1476-1122 10.1038/nmat2806
- L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, and G. Kresse, Nat. Mater. 1476-1122 10.1038/nmat2806 9, 741 (2010).
- (2010) Nat. Mater. , vol.9 , pp. 741
- Schimka, L.¹ Harl, J.² Stroppa, A.³ Grüneis, A.⁴ Marsman, M.⁵ Mittendorfer, F.⁶ Kresse, G.⁷

11
- 68649092014
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.056401
- J. Harl and G. Kresse, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.056401 103, 056401 (2009).
- (2009) Phys. Rev. Lett. , vol.103 , pp. 056401
- Harl, J.¹ Kresse, G.²

12
- 77955010483
- PRBMDO 1098-0121 10.1103/PhysRevB.81.115126
- J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115126 81, 115126 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 115126
- Harl, J.¹ Schimka, L.² Kresse, G.³

13
- 84874527119
- PRBMDO 1098-0121 10.1103/PhysRevB.87.075207
- J. Yan, J. S. Hummelshøj, and J. K. Nørskov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87.075207 87, 075207 (2013).
- (2013) Phys. Rev. B , vol.87 , pp. 075207
- Yan, J.¹ Hummelshøj, J.S.² Nørskov, J.K.³

14
- 0014699693
- ADPHAH 0001-8732 10.1080/00018737000101071
- A. Bosman and H. van Daal, Adv. Phys. ADPHAH 0001-8732 10.1080/00018737000101071 19, 1 (1970).
- (1970) Adv. Phys. , vol.19 , pp. 1
- Bosman, A.¹ Van Daal, H.²

15
- 20444433099
- GaN:ZnO solid solution as a photocatalyst for visible-light-driven overall water splitting
- DOI 10.1021/ja0518777
- K. Maeda, T. Takata, and M. Hara, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0518777 127, 8286 (2005). (Pubitemid 40828138)
- (2005) Journal of the American Chemical Society , vol.127 , Issue.23 , pp. 8286-8287
- Maeda, K.¹ Takata, T.² Hara, M.³ Saito, N.⁴ Inoue, Y.⁵ Kobayashi, H.⁶ Domen, K.⁷

16
- 76249093399
- CMATEX 0897-4756 10.1021/cm901917a
- K. Maeda and K. Domen, Chem. Mater. CMATEX 0897-4756 10.1021/cm901917a 22, 612 (2010).
- (2010) Chem. Mater. , vol.22 , pp. 612
- Maeda, K.¹ Domen, K.²

17
- 76649105439
- PRLTAO 0031-9007 10.1103/PhysRevLett.104.065501
- S. Wang and L.-W. Wang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.104.065501 104, 065501 (2010).
- (2010) Phys. Rev. Lett. , vol.104 , pp. 065501
- Wang, S.¹ Wang, L.-W.²

18
- 45749105515
- PRBMDO 1098-0121 10.1103/PhysRevB.77.245209
- Y. Z. Zhu, G. D. Chen, H. Ye, A. Walsh, C. Y. Moon, and S.-H. Wei, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.245209 77, 245209 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 245209
- Zhu, Y.Z.¹ Chen, G.D.² Ye, H.³ Walsh, A.⁴ Moon, C.Y.⁵ Wei, S.-H.⁶

19
- 0000939615
- 1-xO as a II-VI widegap semiconductor alloy
- DOI 10.1063/1.121384, PII S0003695198042193
- A. Ohtomo, M. Kawasaki, T. Koida, K. Masubuchi, H. Koinuma, Y. Sakurai, Y. Yoshida, T. Yasuda, and Y. Segawa, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.121384 72, 2466 (1998). (Pubitemid 128677249)
- (1998) Applied Physics Letters , vol.72 , Issue.19 , pp. 2466-2468
- Ohtomo, A.¹ Kawasaki, M.² Koida, T.³ Masubuchi, K.⁴ Koinuma, H.⁵ Sakurai, Y.⁶ Yoshida, Y.⁷ Yasuda, T.⁸ Segawa, Y.⁹

20
- 0034273985
- THSFAP 0040-6090 10.1016/S0040-6090(00)01009-9
- T. Minemoto, T. Negami, and S. Nishiwaki, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(00)01009-9 372, 173 (2000).
- (2000) Thin Solid Films , vol.372 , pp. 173
- Minemoto, T.¹ Negami, T.² Nishiwaki, S.³

21
- 0041562742
- JCOMEL 0953-8984 10.1088/0953-8984/15/30/102
- J. Chen, W. Shen, N. Chen, D. J. Qiu, and H. Z. Wu, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/30/102 15, L475 (2003).
- (2003) J. Phys.: Condens. Matter , vol.15 , pp. 475
- Chen, J.¹ Shen, W.² Chen, N.³ Qiu, D.J.⁴ Wu, H.Z.⁵

22
- 27944468676
- 1-xO alloys
- DOI 10.1016/j.mseb.2005.08.112, PII S0921510705005684
- N. Chen and C. Sui, Mater. Sci. Eng. B MSBTEK 0921-5107 10.1016/j.mseb.2005.08.112 126, 16 (2006). (Pubitemid 41668546)
- (2006) Materials Science and Engineering B: Solid-State Materials for Advanced Technology , vol.126 , Issue.1 , pp. 16-21
- Chen, N.B.¹ Sui, C.H.²

23
- 25144487610
- 1-xO layers grown on MgO(111)/c -sapphire
- DOI 10.1063/1.2039273, 054911
- Z. Vashaei, T. Minegishi, H. Suzuki, T. Hanada, M. W. Cho, T. Yao, and A. Setiawan, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2039273 98, 054911 (2005). (Pubitemid 41345139)
- (2005) Journal of Applied Physics , vol.98 , Issue.5 , pp. 1-4
- Vashaei, Z.¹ Minegishi, T.² Suzuki, H.³ Hanada, T.⁴ Cho, M.W.⁵ Yao, T.⁶ Setiawan, A.⁷

24
- 33745253370
- 1-xO thin films (0≤x≤1): Long-wavelength optical phonons and dielectric constants
- DOI 10.1063/1.2200447
- C. Bundesmann, A. Rahm, M. Lorenz, M. Grundmann, and M. Schubert, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2200447 99, 113504 (2006). (Pubitemid 43926468)
- (2006) Journal of Applied Physics , vol.99 , Issue.11 , pp. 113504
- Bundesmann, C.¹ Rahm, A.² Lorenz, M.³ Grundmann, M.⁴ Schubert, M.⁵

25
- 0034897631
- PRBMDO 1098-0121 10.1103/PhysRevB.63.104103
- S. Limpijumnong and W. R. L. Lambrecht, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.104103 63, 104103 (2001).
- (2001) Phys. Rev. B , vol.63 , pp. 104103
- Limpijumnong, S.¹ Lambrecht, W.R.L.²

26
- 33745318866
- First-principles study of ground- and excited-state properties of MgO, ZnO, and CdO polymorphs
- DOI 10.1103/PhysRevB.73.245212
- A. Schleife, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.245212 73, 245212 (2006). (Pubitemid 43938703)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.73 , Issue.24 , pp. 245212
- Schleife, A.¹ Fuchs, F.² Furthmuller, J.³ Bechstedt, F.⁴

27
- 12844286241
- PRBMDO 1098-0121 10.1103/PhysRevB.47.558
- G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.558 47, 558 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

28
- 27744460065
- PRBMDO 1098-0121 10.1103/PhysRevB.49.14251
- G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.14251 49, 14251 (1994).
- (1994) Phys. Rev. B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

29
- 25744460922
- PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
- P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

30
- 0011236321
- PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

31
- 33745784821
- Implementation and performance of the frequency-dependent GW method within the PAW framework
- DOI 10.1103/PhysRevB.74.035101
- M. Shishkin and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.035101 74, 035101 (2006). (Pubitemid 44018062)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.3 , pp. 035101
- Shishkin, M.¹ Kresse, G.²

32
- 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

33
- 24544446066
- PRBMDO 1098-0121 10.1103/PhysRevB.44.1530
- J. van Elp, R. H. Potze, H. Eskes, R. Berger, and G. A. Sawatzky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.44.1530 44, 1530 (1991).
- (1991) Phys. Rev. B , vol.44 , pp. 1530
- Van Elp, J.¹ Potze, R.H.² Eskes, H.³ Berger, R.⁴ Sawatzky, G.A.⁵

34
- 43449115689
- PRBMDO 1098-0121 10.1103/PhysRevB.77.184408
- C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.184408 77, 184408 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 184408
- Rödl, C.¹ Fuchs, F.² Furthmüller, J.³ Bechstedt, F.⁴

35
- 84871039788
- PRBMDO 1098-0121 10.1103/PhysRevB.86.235113
- L. Y. Lim, S. Lany, Y. J. Chang, E. Rotenberg, A. Zunger, and M. F. Toney, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.235113 86, 235113 (2012).
- (2012) Phys. Rev. B , vol.86 , pp. 235113
- Lim, L.Y.¹ Lany, S.² Chang, Y.J.³ Rotenberg, E.⁴ Zunger, A.⁵ Toney, M.F.⁶

36
- 44949179694
- PRBMDO 1098-0121 10.1103/PhysRevB.77.241201
- S. Lany, H. Raebiger, and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.241201 77, 241201 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 241201
- Lany, S.¹ Raebiger, H.² Zunger, A.³

37
- 1842816907
- 1098-0121 10.1103/PhysRevB.13.5188
- H. Monkhorst and J. Pack, Phys. Rev. B 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.¹ Pack, J.²

38
- 33846361964
- PNASA6 0027-8424 10.1073/pnas.30.9.244
- F. Murnaghan, Proc. Natl. Acad. Sci. (USA) PNASA6 0027-8424 10.1073/pnas.30.9.244 30, 244 (1944).
- (1944) Proc. Natl. Acad. Sci. (USA) , vol.30 , pp. 244
- Murnaghan, F.¹

39
- 80053494854
- PRBMDO 1098-0121 10.1103/PhysRevB.84.094110
- M. P. Molepo and D. P. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.094110 84, 094110 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 094110
- Molepo, M.P.¹ Joubert, D.P.²

40
- 33845518500
- Influence of the exchange screening parameter on the performance of screened hybrid functionals
- DOI 10.1063/1.2404663
- A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2404663 125, 224106 (2006). (Pubitemid 44927407)
- (2006) Journal of Chemical Physics , vol.125 , Issue.22 , pp. 224106
- Krukau, A.V.¹ Vydrov, O.A.² Izmaylov, A.F.³ Scuseria, G.E.⁴

41
- 5044233663
- Springer, Berlin
- O. Madelung, Semiconductors: Data Handbook (Springer, Berlin, 2003).
- (2003) Semiconductors: Data Handbook
- Madelung, O.¹

42
- 36149016904
- PHRVAO 0031-899X 10.1103/PhysRev.110.1333
- W. Roth, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.110.1333 110, 1333 (1958).
- (1958) Phys. Rev. , vol.110 , pp. 1333
- Roth, W.¹

43
- 0001309069
- PRBMDO 1098-0121 10.1103/PhysRevB.27.6964
- A. K. Cheetham and D. A. O. Hope, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.27.6964 27, 6964 (1983).
- (1983) Phys. Rev. B , vol.27 , pp. 6964
- Cheetham, A.K.¹ Hope, D.A.O.²

44
- 0002428401
- PHSTBO 0031-8949 10.1088/0031-8949/3/2/005
- K. Marklund and S. Mahmoud, Phys. Scr. PHSTBO 0031-8949 10.1088/0031-8949/3/2/005 3, 75 (1971).
- (1971) Phys. Scr. , vol.3 , pp. 75
- Marklund, K.¹ Mahmoud, S.²

45
- 0001433684
- PRBMDO 1098-0121 10.1103/PhysRevB.58.14102
- S. Desgreniers, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.14102 58, 14102 (1998).
- (1998) Phys. Rev. B , vol.58 , pp. 14102
- Desgreniers, S.¹

46
- 0003907461
- Kluwer Academic, Dordrecht
- S. Adachi, Optical Properties of Crystalline and Amorphous Semiconductors: Numerical Data and Graphical Information (Kluwer Academic, Dordrecht, 1999).
- (1999) Optical Properties of Crystalline and Amorphous Semiconductors: Numerical Data and Graphical Information
- Adachi, S.¹

47
- 0033378049
- Room-temperature compressibilities of MnO and CdO: Further examination of the role of cation type in bulk modulus systematics
- DOI 10.1007/s002690050229
- J. Zhang, Phys. Chem. Miner. PCMIDU 0342-1791 10.1007/s002690050229 26, 644 (1999). (Pubitemid 30031470)
- (1999) Physics and Chemistry of Minerals , vol.26 , Issue.8 , pp. 644-648
- Zhang, J.¹

48
- 84855336742
- 2210-271X 10.1016/j.comptc.2010.11.037
- F. S. Saoud, J. Plenet, L. Louail, and D. Maouche, Comput. Theor. Chem. 2210-271X 10.1016/j.comptc.2010.11.037 964, 65 (2011).
- (2011) Comput. Theor. Chem. , vol.964 , pp. 65
- Saoud, F.S.¹ Plenet, J.² Louail, L.³ Maouche, D.⁴

49
- 0000864794
- PRBMDO 1098-0121 10.1103/PhysRevB.48.6111
- S.-H. Wei and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.6111 48, 6111 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 6111
- Wei, S.-H.¹ Zunger, A.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.