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The elastic constants of α-ScH x (x=0, 1/4, 1/8, 1/32) and α-ScHe x (x=0, 1/4, 1/8, 1/32) are studied by the first-principles method. It is found that the addition of hydrogen to the scandium has an effect greatly different from the addition of helium to this rare-earth metal. The elastic constants of the α-ScH x system almost increase with hydrogen concentration increasing, which is in agreement with the experimental observation. Whereas, in the case of α-ScHe x system, the elastic constants almost decrease with the increase of helium concentration.
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Keywords:
- first-principles /
- elastic constant /
- α-ScHx /
- α-ScHex
[1] Zhou J J, Chen Y G, Wu C L, Zheng X, Fang Y C, Gao T 2009 Acta Phys. Sin. 58 4853 (in Chinese) [周晶晶、陈云贵、吴朝玲、郑 欣、房玉超、高 涛 2009 58 4853]
[2] Mitchell D J, Provo J L 1985 J. Appl. Phys. 57 1855
[3] Wang Y, Chou M Y 1994 Phys. Rev. B 49 13357
[4] Blaschko O, Pleschiutschnig J 1989 Phys. Rev. B 40 5344
[5] Yang L, Peng S M, Long X G, Gao F, Heinisch H L, Kurtz R J, Zu X T 2010 J. Appl. Phys. 107 054903
[6] Prem M, Krexner G, Pleschiutschnig J 2003 Journal of Alloys and Compounds 356-357 683
[7] Blaschko O, Pleschiutschnig J, Glas R, Weinzierl P 1991 Phys. Rev. B 44 9164
[8] Wixom R R, Browning J F, Snow C S, Schultz P A, Jennison D R 2008 J. Appl. Phys. 103 123708
[9] Leisure R G, Schwarz R B, Migliori A, Lei M 1993 Phys. Rev. B 48 1276
[10] Skripov A V, Soloninin A V, Sibirtsev D S, Buzlukov A L, Stepanov A P, Balbach John J, Conradi Mark S, Barnes R G, Hempelmann R 2002 Phys. Rev. 66 054306
[11] Gygax F N, Solt G, Amato A, Anderson I S, Pinkpank M, Schenck A, Udovic T J 2009 Phys. Rev. B 61 168
[12] Garcés J, González R, Vajda P 2009 Phys. Rev. B 79 054113
[13] Burger J P, Daou J N, Lucasson A, Lucasson P, Vajda P, 1985 Z. Phys. Chem. N. F. 143 111
[14] Kwiseon K, Walter R L L, Benjamin S 1996 Phys. Rev. B 53 16310
[15] Mehl M J, Osburn J E, Papaconstantopoulos D A, Klein B M 1990 Phys. Rev. B 41 10311
[16] Mehl M J 1993 Phys. Rev. B 47 2493
[17] Wang S Q, Ye H Q 2002 Phys. Rev. B 66 235111
[18] Wang S Q, Ye H Q 2003 J. Phys.: Condens. Matter 15 5307
[19] Yang L, Peng S M, Long X G, Gao F, Heinisch H L, Kurtz R J, Zu X T, submitted to J. Phys-Condens Mat.
[20] Li D H, Zhu X L, Su W J, Cheng X L 2010 Acta Phys. Sin. 59 2004 (in Chinese) [李德华、朱晓玲、苏文晋、程新路 2010 59 2004]
[21] Wang H Y, Zhu W J, Song Z F, Liu S J, Chen X R, He H L 2008 Acta Phys. Sin. 57 3703 (in Chinese) [王海燕、祝文军、宋振飞、刘绍军、陈向荣、贺红亮 2008 57 3703]
[22] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[23] Blchl P E 1994 Phys. Rev. B 50 17953
[24] Perdew J P, Chevary J A, Vosko S H, Fiolhais C 1992 Phys. Rev. B 46 6671
[25] Brandes E A, Brook G B 1992 SmithellsMetal Reference Book 7th edn (Oxford: Butterworths) p15
[26] Liu X K, Liu Y, Qian D Z, Zheng Z 2010 Acta Phys. Sin. 59 6450 (in Chinese) [刘显坤、刘 颖、钱达志、郑 洲 2010 59 6450]
[27] Li C B, Li M K, Yin D, Liu F Q, Fan X J 2005 Chin. Phys. 14 2287
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[1] Zhou J J, Chen Y G, Wu C L, Zheng X, Fang Y C, Gao T 2009 Acta Phys. Sin. 58 4853 (in Chinese) [周晶晶、陈云贵、吴朝玲、郑 欣、房玉超、高 涛 2009 58 4853]
[2] Mitchell D J, Provo J L 1985 J. Appl. Phys. 57 1855
[3] Wang Y, Chou M Y 1994 Phys. Rev. B 49 13357
[4] Blaschko O, Pleschiutschnig J 1989 Phys. Rev. B 40 5344
[5] Yang L, Peng S M, Long X G, Gao F, Heinisch H L, Kurtz R J, Zu X T 2010 J. Appl. Phys. 107 054903
[6] Prem M, Krexner G, Pleschiutschnig J 2003 Journal of Alloys and Compounds 356-357 683
[7] Blaschko O, Pleschiutschnig J, Glas R, Weinzierl P 1991 Phys. Rev. B 44 9164
[8] Wixom R R, Browning J F, Snow C S, Schultz P A, Jennison D R 2008 J. Appl. Phys. 103 123708
[9] Leisure R G, Schwarz R B, Migliori A, Lei M 1993 Phys. Rev. B 48 1276
[10] Skripov A V, Soloninin A V, Sibirtsev D S, Buzlukov A L, Stepanov A P, Balbach John J, Conradi Mark S, Barnes R G, Hempelmann R 2002 Phys. Rev. 66 054306
[11] Gygax F N, Solt G, Amato A, Anderson I S, Pinkpank M, Schenck A, Udovic T J 2009 Phys. Rev. B 61 168
[12] Garcés J, González R, Vajda P 2009 Phys. Rev. B 79 054113
[13] Burger J P, Daou J N, Lucasson A, Lucasson P, Vajda P, 1985 Z. Phys. Chem. N. F. 143 111
[14] Kwiseon K, Walter R L L, Benjamin S 1996 Phys. Rev. B 53 16310
[15] Mehl M J, Osburn J E, Papaconstantopoulos D A, Klein B M 1990 Phys. Rev. B 41 10311
[16] Mehl M J 1993 Phys. Rev. B 47 2493
[17] Wang S Q, Ye H Q 2002 Phys. Rev. B 66 235111
[18] Wang S Q, Ye H Q 2003 J. Phys.: Condens. Matter 15 5307
[19] Yang L, Peng S M, Long X G, Gao F, Heinisch H L, Kurtz R J, Zu X T, submitted to J. Phys-Condens Mat.
[20] Li D H, Zhu X L, Su W J, Cheng X L 2010 Acta Phys. Sin. 59 2004 (in Chinese) [李德华、朱晓玲、苏文晋、程新路 2010 59 2004]
[21] Wang H Y, Zhu W J, Song Z F, Liu S J, Chen X R, He H L 2008 Acta Phys. Sin. 57 3703 (in Chinese) [王海燕、祝文军、宋振飞、刘绍军、陈向荣、贺红亮 2008 57 3703]
[22] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[23] Blchl P E 1994 Phys. Rev. B 50 17953
[24] Perdew J P, Chevary J A, Vosko S H, Fiolhais C 1992 Phys. Rev. B 46 6671
[25] Brandes E A, Brook G B 1992 SmithellsMetal Reference Book 7th edn (Oxford: Butterworths) p15
[26] Liu X K, Liu Y, Qian D Z, Zheng Z 2010 Acta Phys. Sin. 59 6450 (in Chinese) [刘显坤、刘 颖、钱达志、郑 洲 2010 59 6450]
[27] Li C B, Li M K, Yin D, Liu F Q, Fan X J 2005 Chin. Phys. 14 2287
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