Reversed trend in polarity for alkaline earth oxides - An ab initio study

Journal of Physics Condensed Matter

Volumn 12, Issue 11, 2000, Pages 2423-2428

  Mankefors, S ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042224968     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/11/308     Document Type: Article

References (21)

1. Bechstedt F and Enderlein R 1988 Semiconductor Surfaces and Interfaces (Akademie)
2. Adachi H 1993 J. Phys. Soc. Japan 62 3965
3. Phillips J C 1970 Phys. Today 23 23
4. Pacchioni G, Sousa C, Illas F, Parmigiani F and Bagus P S, 1993 Phys. Rev. B 48 11 573
5. Lorda A, Illas F, Rubio J and Torrance J B 1993 Phys. Rev. B 47 6207
6. Lobatch V A, Kulyabin B E, Zhukov V P and Medvedeva N I 1990 Phys. Status Solidi b 158 239
7. Souda R, Yamamoto K, Hayami W, Aizawa T and Ishizawa T 1994 Phys. Rev. B 50 4733
8. Kohn W and Sham L J 1965 Phys. Rev. 140 A1 133
9. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
10. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
11. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
12. Hamann B 1989 Phys. Rev. B 40 2980
13. Gonze X, Käckell P and Scheffler M 1990 Phys. Rev. B 41 12 264
14. Hamann D R, Schlüter M and Chiang C 1979 Phys. Rev. Lett. 43 1494
15. Bachetet G B, Hamann D R and Schlüter M 1982 Phys. Rev. 26 4199
16. Kleinmann L and Bylander D M 1982 Phys. Rev. Lett. 48 1425
17. fhi94md.cth is based on fhi93cp, purchased from the Computational Physics Communications library in 1995. While the basic computational physics is the same, the changes of computational nature are extensive.
18. Stumpf R and Scheffler M 1994 Comput. Phys. Commun. 79 447
19. Mankefors S and Nilsson P O J. Phys.: Condens. Matter 12 2429
20. Nordling C and Österman J 1987 Physics Handbook (Chartwell Bratt)
21. Handbook of Chemistry and Physics 1988 (Boca Raton, FL: Chemical Rubber Company)