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Volumn 128, Issue 2, 2008, Pages

Structure and electronic properties of Pbn M (M=C, Al, In, Mg, Sr, Ba, and Pb; N=8, 10, 12, and 14) clusters: Theoretical investigations based on first principles calculations

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONIC STRUCTURE; IMPURITIES; STABILITY;

EID: 38349049421     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2814166     Document Type: Article
Times cited : (28)

References (43)
  • 1
    • 0141468227 scopus 로고    scopus 로고
    • in Clusters and Nano-materials, Springer Series in Cluster Physics, edited by Y. Kawazoe and K. Ohno (Springer, Heidelberg),.
    • V. Kumar, K. Esfarjani, and Y. Kawazoe, in Clusters and Nano-materials, Springer Series in Cluster Physics, edited by, Y. Kawazoe, and, K. Ohno, (Springer, Heidelberg, 2002), p. 9.
    • (2002) , pp. 9
    • Kumar, V.1    Esfarjani, K.2    Kawazoe, Y.3
  • 3
    • 1442333495 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat1066.
    • G. Seifert, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1066 3, 77 (2004).
    • (2004) Nat. Mater. , vol.3 , pp. 77
    • Seifert, G.1
  • 4
    • 11744250881 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.69.1664.
    • R. K. Khanna and P. Jena, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.1664 69, 1664 (1992).
    • (1992) Phys. Rev. Lett. , vol.69 , pp. 1664
    • Khanna, R.K.1    Jena, P.2
  • 5
    • 33745452651 scopus 로고    scopus 로고
    • CSRVBR 0306-0012 10.1039/b502142c.
    • E. Roduner, Chem. Soc. Rev. CSRVBR 0306-0012 10.1039/b502142c 35, 583 (2006).
    • (2006) Chem. Soc. Rev. , vol.35 , pp. 583
    • Roduner, E.1
  • 6
    • 35949005288 scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.65.677, ();, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.65.611 65, 611 (1993).
    • M. Brack, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.65.677 65, 677 (1993); W. A. de Heer, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys. 65.611 65, 611 (1993).
    • (1993) Rev. Mod. Phys. , vol.65 , pp. 677
    • Brack, M.1    De Heer, W.A.2
  • 8
    • 12044259595 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.67.2994.
    • M. F. Jarrold and V. A. Constant, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.2994 67, 2994 (1991).
    • (1991) Phys. Rev. Lett. , vol.67 , pp. 2994
    • Jarrold, M.F.1    Constant, V.A.2
  • 9
    • 0012307343 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.462228.
    • M. F. Jarrold and J. E. Bower, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462228 96, 9180 (1992).
    • (1992) J. Chem. Phys. , vol.96 , pp. 9180
    • Jarrold, M.F.1    Bower, J.E.2
  • 13
    • 0000070036 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.60.1235, ();, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)01416-5 317, 615 (2000).
    • A. A. Shvartsburg and M. F. Jarrold, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.60.1235 60, 1235 (1999); A. A. Shvartsburg and M. F. Jarrold, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)01416-5 317, 615 (2000).
    • (1999) Phys. Rev. A , vol.60 , pp. 1235
    • Shvartsburg, A.A.1    Jarrold, M.F.2    Shvartsburg, A.A.3    Jarrold, M.F.4
  • 14
    • 3343000273 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.55.2853, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449927 84, 5672 (1986);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455065 89, 2219 (1988);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(90)85469-S 167, 559 (1990);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1063/1.459738 94, 3670 (1991);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)80038-D 198, 521 (1992);, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.1479 84, 1479 (2000);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00836-S 243, 275 (1995);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475511 108, 1395 (1998);, Chem. Phys. CMPHC2 0301-0104 10.1063/1.471098 104, 2757 (1996);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1535906 118, 3558 (2003);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.R4914 55, R4914 (1997).
    • K. Raghavachari and V. Logovinsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2853 55, 2853 (1985); K. Raghavachari, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449927 84, 5672 (1986); K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455065 89, 2219 (1988); C. M. Rohlfing and K. Raghavachari, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(90)85469-S 167, 559 (1990); K. Raghavachari and C. M. Rohlfing, Chem. Phys. Lett. CHPLBC 0009-2614 10.1063/1.459738 94, 3670 (1991); K. Raghavachari and C. M. Rohlfing, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)80038-D 198, 521 (1992); J. Mitas, J. C. Groupossmann, I. Stich, and J. Tobik, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84. 1479 84, 1479 (2000); S. Li, R. J. Van Zee, W. Weltner, Jr., and K. Raghavachari, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00836-S 243, 275 (1995); C. Xu, T. R. Taylor, G. R. Burton, and D. M. Neumark, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475511 108, 1395 (1998); G. R. Burton, C. Xu, C. C. Arnold, and D. M. Neumark, Chem. Phys. CMPHC2 0301-0104 10.1063/1.471098 104, 2757 (1996); X. Zhu and X. C. Zeng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1535906 118, 3558 (2003); S. Ogut and J. R. Chelikowsky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.R4914 55, R4914 (1997).
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2853
    • Raghavachari, K.1    Logovinsky, V.2    Raghavachari, K.3    Raghavachari, K.4    Rohlfing, C.M.5    Rohlfing, C.M.6    Raghavachari, K.7    Raghavachari, K.8    Rohlfing, C.M.9    Raghavachari, K.10    Rohlfing, C.M.11    Mitas, J.12    Groupossmann, J.C.13    Stich, I.14    Tobik, J.15    Li, S.16    Van Zee, R.J.17    Weltner Jr., W.18    Raghavachari, K.19    Xu, C.20    more..
  • 15
    • 0035894103 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.64.233405, ();, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.155329 66, 155329 (2002).
    • C. Majumder, V. Kumar, H. Mizesuki, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.233405 64, 233405 (2001); K. Joshi, D. G. Kanhere, and S. A. Blundell, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.155329 66, 155329 (2002).
    • (2001) Phys. Rev. B , vol.64 , pp. 233405
    • Majumder, C.1    Kumar, V.2    Mizesuki, H.3    Kawazoe, Y.4    Joshi, K.5    Kanhere, D.G.6    Blundell, S.A.7
  • 16
    • 0001177055 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.47.1121.
    • O. Echt, K. Sattler, and E. Recknagel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.47.1121 47, 1121 (1981).
    • (1981) Phys. Rev. Lett. , vol.47 , pp. 1121
    • Echt, O.1    Sattler, K.2    Recknagel, E.3
  • 20
    • 0038900162 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/S0009-2614(98)00895-1.
    • Ch. Luder and K. H. Meiwes-Broer, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00895-1 294, 391 (1998).
    • (1998) Chem. Phys. Lett. , vol.294 , pp. 391
    • Luder, Ch.1    Meiwes-Broer, K.H.2
  • 23
    • 0012332411 scopus 로고    scopus 로고
    • CRPOBN 1631-0705 10.1016/S1631-0705(02)01325-7.
    • O. Echt, P. Scheier, and T. D. Märk, C. R. Phys. CRPOBN 1631-0705 10.1016/S1631-0705(02)01325-7 3, 353 (2002).
    • (2002) C. R. Phys. , vol.3 , pp. 353
    • Echt, O.1    Scheier, P.2    Märk, T.D.3
  • 27
    • 0035939418 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.87.045503, ();, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.245426 70, 245426 (2004);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1791591 121, 7756 (2004);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.125416 70, 125416 (2004);, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja045380t 127, 4998 (2005);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.075423 71, 075423 (2005);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.155412 68, 155412 (2003);, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1609661 83, 2677 (2003);, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.235504 88, 235504 (2002);, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1447315 80, 859 (2002).
    • V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.045503 87, 045503 (2001); C. Majumder and S. K. Kulshresta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.245426 70, 245426 (2004); S. Nigam, C. Majumder, and S. K. Kulshresta, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1791591 121, 7756 (2004); C. Majumder and S. K. Kulshreshtha, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.125416 70, 125416 (2004); K. Koyasu, M. Akutsu, M. Masaaki, and A. Nkajima, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja045380t 127, 4998 (2005); H. Kawamura, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.075423 71, 075423 (2005); V. Kumar, T. M. Briere, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.155412 68, 155412 (2003); V. Kumar and Y. Kawazoe, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1609661 83, 2677 (2003); V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.235504 88, 235504 (2002); V. Kumar and Y. Kawazoe, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1447315 80, 859 (2002).
    • (2001) Phys. Rev. Lett. , vol.87 , pp. 045503
    • Kumar, V.1    Kawazoe, Y.2    Majumder, C.3    Kulshresta, S.K.4    Nigam, S.5    Majumder, C.6    Kulshresta, S.K.7    Majumder, C.8    Kulshreshtha, S.K.9    Koyasu, K.10    Akutsu, M.11    Masaaki, M.12    Nkajima, A.13    Kawamura, H.14    Kumar, V.15    Kawazoe, Y.16    Kumar, V.17    Briere, T.M.18    Kawazoe, Y.19    Kumar, V.20    more..
  • 28
    • 2942539185 scopus 로고    scopus 로고
    • ACIEF5 1433-7851 10.1002/anie.200353287, ();, Chem. Commun. (Cambridge) CHCOFS 1359-7345 2005, 16;, Rapid Commun. Mass Spectrom. RCMSEF 0951-4198 10.1002/rcm.530 15, 2399 (2001);, Rapid Commun. Mass Spectrom. RCMSEF 0951-4198 10.1002/rcm.1063 17, 1411 (2003).
    • E. N. Esenturk, J. Fetteinger, Y.-F. Lam, and B. Eichhorn, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200353287 43, 2132 (2004); E. N. Esenturk, J. Fettinger, and B. Eichhorn, Chem. Commun. (Cambridge) CHCOFS 1359-7345 2005, 16; X. Zhang, G. Li, X. Xing, X. Zhao, Z. Tang, and Z. Gao, Rapid Commun. Mass Spectrom. RCMSEF 0951-4198 10.1002/rcm.530 15, 2399 (2001); X. Xing, Z. Tian, H. Liu, and Z. Tang, Rapid Commun. Mass Spectrom. RCMSEF 0951-4198 10.1002/rcm.1063 17, 1411 (2003).
    • (2004) Angew. Chem., Int. Ed. , vol.43 , pp. 2132
    • Esenturk, E.N.1    Fetteinger, J.2    Lam, Y.-F.3    Eichhorn, B.4    Esenturk, E.N.5    Fettinger, J.6    Eichhorn, B.7    Zhang, X.8    Li, G.9    Xing, X.10    Zhao, X.11    Tang, Z.12    Gao, Z.13    Xing, X.14    Tian, Z.15    Liu, H.16    Tang, Z.17
  • 29
    • 2342474653 scopus 로고    scopus 로고
    • NALEFD 1530-6984 10.1021/nl0498076.
    • V. Kumar, A. K. Singh, and Y. Kawazoe, Nano Lett. NALEFD 1530-6984 10.1021/nl0498076 4, 677 (2004).
    • (2004) Nano Lett. , vol.4 , pp. 677
    • Kumar, V.1    Singh, A.K.2    Kawazoe, Y.3
  • 31
    • 33749046924 scopus 로고    scopus 로고
    • CHPLBC 0009-2614 10.1016/j.cplett.2006.08.117.
    • C. Rajesh and C. Majumder, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2006.08.117 430, 101 (2006).
    • (2006) Chem. Phys. Lett. , vol.430 , pp. 101
    • Rajesh, C.1    Majumder, C.2
  • 32
    • 33846350484 scopus 로고    scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.75.013201.
    • D.-L. Chen, W. Q. Tian, and C.-C. Sun, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.75.013201 75, 013201 (2007).
    • (2007) Phys. Rev. A , vol.75 , pp. 013201
    • Chen, D.-L.1    Tian, W.Q.2    Sun, C.-C.3
  • 36
    • 0001596456 scopus 로고
    • JPCHAX 0022-3654 10.1021/j100213a006, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.444504 78, 321 (1983);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1412000 115, 8795 (2001);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462287 96, 8345 (1992);, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100202a032 96, 9236 (1992);, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)00442-9 271, 118 (1997);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1476311 116, 10287 (2002);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451815 85, 3401 (1986).
    • K. S. Pitzer and K. Balasubramanian, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100213a006 86, 3068 (1982); K. Balasubramanian and K. S. Pitzer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.444504 78, 321 (1983); K. Balasubramanian and D. Majumdar, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1412000 115, 8795 (2001); D. Dai and K. Balasubramanian, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462287 96, 8345 (1992); D. Dai and K. Balasubramanian, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100202a032 96, 9236 (1992); D. Dai and K. Balasubramanian, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)00442- 9 271, 118 (1997); C. Zhao and K. Balasubramanian, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1476311 116, 10287 (2002); K. Balasubramanian, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451815 85, 3401 (1986).
    • (1982) J. Phys. Chem. , vol.86 , pp. 3068
    • Pitzer, K.S.1    Balasubramanian, K.2    Balasubramanian, K.3    Pitzer, K.S.4    Balasubramanian, K.5    Majumdar, D.6    Dai, D.7    Balasubramanian, K.8    Dai, D.9    Balasubramanian, K.10    Dai, D.11    Balasubramanian, K.12    Zhao, C.13    Balasubramanian, K.14    Balasubramanian, K.15
  • 37
    • 0031635723 scopus 로고    scopus 로고
    • ANPYA2 0003-3804, ();, Adv. Quantum Chem. AQCHA9 0065-3276 33, 329 (1999);, Z. Phys. D: At., Mol. Clusters ZDACE2 0178-7683 10.1007/BF01444433 11, 163 (1989);, Physica B PHYBE3 0921-4526 10.1016/0921-4526(90)90098-F 167, 19 (1990);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.5970 54, 5970 (1996);, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1521128 117, 10175 (2002);, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.71.033201 71, 033201 (2005).
    • B. Wang, L. M. Molina, M. J. Lopez, A. Rubio, J. A. Alonso, and M. J. Stott, Ann. Phys. ANPYA2 0003-3804 7, 107 (1998); L. M. Molina, M. J. Lopez, A. Rubio, L. C. Balbas, and J. A. Alonso, Adv. Quantum Chem. AQCHA9 0065-3276 33, 329 (1999); M. P. Iniguez, M. J. Lopez, J. A. Alonso, and J. M. Soler, Z. Phys. D: At., Mol. Clusters ZDACE2 0178-7683 10.1007/BF01444433 11, 163 (1989); A. Rubio, L. C. Balbas, and J. A. Alonso, Physica B PHYBE3 0921-4526 10.1016/0921-4526(90)90098-F 167, 19 (1990); A. M. Mazzone, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.5970 54, 5970 (1996); S. K. Lai, P. J. Hsu, W. K. Liu, and M. Iwamatsu, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1521128 117, 10175 (2002); B. Wang, J. Zhao, X. Chen, D. Shi, and G. Wang, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.71.033201 71, 033201 (2005).
    • (1998) Ann. Phys. , vol.7 , pp. 107
    • Wang, B.1    Molina, L.M.2    Lopez, M.J.3    Rubio, A.4    Alonso, J.A.5    Stott, M.J.6    Molina, L.M.7    Lopez, M.J.8    Rubio, A.9    Balbas, L.C.10    Alonso, J.A.11    Iniguez, M.P.12    Lopez, M.J.13    Alonso, J.A.14    Soler, J.M.15    Rubio, A.16    Balbas, L.C.17    Alonso, J.A.18    Mazzone, A.M.19    Lai, S.K.20    more..
  • 38
    • 29744454842 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.72.235411, ();, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2741537 126, 244704 (2007).
    • C. Rajesh, C. Majumder, M. G. R. Rajan, and S. K. Kulshresta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.235411 72, 235411 (2005); C. Rajesh and C. Majumder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2741537 126, 244704 (2007).
    • (2005) Phys. Rev. B , vol.72 , pp. 235411
    • Rajesh, C.1    Majumder, C.2    Rajan, M.G.R.3    Kulshresta, S.K.4    Rajesh, C.5    Majumder, C.6
  • 39
    • 38349024353 scopus 로고    scopus 로고
    • Introduction to Solid State Physics, 7th ed. (Wiley, New York),.
    • C. Kittel, Introduction to Solid State Physics, 7th ed. (Wiley, New York, 1996), p. 57.
    • (1996) , pp. 57
    • Kittel, C.1
  • 40
    • 0035906601 scopus 로고    scopus 로고
    • SCMAF7 1359-6462 10.1016/S1359-6462(01)00828-4.
    • V. Kumar and Y. Kawazoe, Scr. Mater. SCMAF7 1359-6462 10.1016/S1359-6462(01)00828-4 44, 1949 (2001).
    • (2001) Scr. Mater. , vol.44 , pp. 1949
    • Kumar, V.1    Kawazoe, Y.2
  • 42
    • 33751015868 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.449501.
    • T. P. Martin and H. Schaber, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449501 83, 855 (1985).
    • (1985) J. Chem. Phys. , vol.83 , pp. 855
    • Martin, T.P.1    Schaber, H.2
  • 43
    • 12844286241 scopus 로고    scopus 로고
    • VIENNA ab initio simulation package, Technische Universitat Wien,;, PRBMDO 0163-1829 10.1103/PhysRevB.47.558, (1993);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999);, in Electronic: Structure of Solids, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), 11;, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980);, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981);, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • VIENNA ab initio simulation package, Technische Universitat Wien, 1999; G. Kresse, and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Furthmuller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); P. E. Blochl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994); G. Kresse and J. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999); J. P. Perdew, in Electronic: Structure of Solids, edited by, P. Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991), p. 11; D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980); J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981); J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1999) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2    Kresse, G.3    Furthmuller, J.4    Blochl, P.E.5    Kresse, G.6    Joubert, J.7    Perdew, J.P.8    Ceperley, D.M.9    Alder, B.J.10    Perdew, J.P.11    Zunger, A.12    Perdew, J.P.13    Burke, K.14    Ernzerhof, M.15


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