Researching | First-principles study of Ca5N4 at high pressure

Journals >Acta Physica Sinica >Volume 69 >Issue 6 >Page 067101-1 > Article

Acta Physica Sinica
Vol. 69, Issue 6, 067101-1 (2020)

First-principles study of Ca₅N₄ at high pressure

Xu-Han Shi, Hai-Yan Li, Zhen Yao^*, and Bing-Bing Liu^*

Author Affiliations

State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China

show less

DOI: 10.7498/aps.69.20191808 Cite this Article

Xu-Han Shi, Hai-Yan Li, Zhen Yao, Bing-Bing Liu. First-principles study of Ca₅N₄ at high pressure [J]. Acta Physica Sinica, 2020, 69(6): 067101-1 Copy Citation Text

show less

References

[1] Pickard C J, Needs R J[J]. Phys. Rev. Lett., 102, 125702(2009).

[2] Erba A, Maschio L, Pisani C, Casassa S[J]. Phys. Rev. B, 84, 012101(2011).

[3] Hirshberg B, Gerber R B, Krylov A I[J]. Nat. Chem., 6, 52(2014).

[4] Özçelik V O, Aktürk O Ü, Durgun E, Ciraci S[J]. Phys. Rev. B, 92, 125420(2015).

[5] Plašienka D, Martoňák R[J]. J. Chem. Phys., 142, 094505(2015).

[6] Yakub L N[J]. Low Temp. Phys., 42, 1(2016).

[7] Martin R M, Needs R J[J]. Phys. Rev. B, 34, 5082(1986).

[8] Mailhiot C, Yang L H, McMahan A K[J]. Phys. Rev. B, 46, 14419(1992).

[9] Wang X, Wang Y, Miao M, Zhong X, Lv J, Cui T, Li J, Chen L, Pickard C J, Ma Y[J]. Phys. Rev. Lett., 109, 175502(2012).

[10] Ma Y, Oganov A R, Li Z, Xie Y, Kotakoski J[J]. Phys. Rev. Lett., 102, 065501(2009).

[11] Bondarchuk S V, Minaev B F[J]. Comput. Mater. Sci., 133, 122(2017).

[12] Eremets M I, Gavriliuk A G, Trojan I A, Dzivenko D A, Boehler R[J]. Nat. Mater., 3, 558(2004).

[13] Tomasino D, Kim M, Smith J, Yoo C S[J]. Phys. Rev. Lett., 113, 205502(2014).

[14] Zhao J F, Li N, Li Q S[J]. Theor. Chem. Acc., 110, 10(2003).

[15] Steele B A, Oleynik I I[J]. Chem. Phys.Lett., 643, 21(2016).

[16] Zhang M, Yin K, Zhang X, Wang H, Li Q, Wu Z[J]. Solid State Commun., 161, 13(2013).

[17] Peng F, Yao Y, Liu H, Ma Y[J]. J. Phys. Chem. Lett., 6, 2363(2015).

[18] Zhang J, Zeng Z, Lin H Q, Li Y L[J]. Sci. Rep., 4, 4358(2015).

[19] Wang X, Li J, Zhu H, Chen L, Lin H[J]. J. Chem. Phys., 141, 044717(2014).

[20] Williams A S, Steele B A, Oleynik I I[J]. J. Chem. Phys., 147, 234701(2017).

[21] Wei S, Li D, Liu Z, Wang W, Tian F, Bao K, Duan D, Liu B, Cui T[J]. J. Phys. Chem. C, 121, 9766(2017).

[22] Yu S, Huang B, Zeng Q, Oganov A R, Zhang L, Frapper G[J]. J. Phys. Chem. C, 121, 11037(2017).

[23] Wei S, Li D, Liu Z, Li X, Tian F, Duan D, Liu B, Cui T[J]. Phys. Chem. Chem. Phys., 19, 9246(2017).

[24] Hou P, Lian L, Cai Y, Liu B, Wang B, Wei S, Li D[J]. RSC Adv., 8, 4314(2018).

[25] Braun C, Börger S L, Boyko T D, Miehe G, Ehrenberg H, Höhn P, Moewes A, Schnick W[J]. J. Am. Chem. Soc., 133, 4307(2011).

[26] Hao J, Li Y, Wang J, Ma C, Huang L, Liu R, Cui Q, Zou G, Liu J, Li X[J]. J. Phys. Chem. C, 114, 16750(2010).

[27] Römer S R, Schnick W, Kroll P[J]. J. Phys. Chem. C, 113, 2943(2009).

[28] Gregory D H, Bowman A, Baker C F, Weston D P[J]. J. Mater. Chem., 10, 1635(2000).

[29] Zhu S, Peng F, Liu H, Majumdar A, Gao T, Yao Y[J]. Inorg. Chem., 55, 7550(2016).

[30] Dong X, Oganov A R, Goncharov A F, Stavrou E, Lobanov S, Saleh G, Qian G R, Zhu Q, Gatti C, Deringer V L, Dronskowski R, Zhou X F, Prakapenka V B, Konôpková Z, Popov I A, Boldyrev A I, Wang H T[J]. Nat. Chem., 9, 440(2017).

[31] Ma Y, Eremets M, Oganov A R, Xie Y, Trojan I, Medvedev S, Lyakhov A O, Valle M, Prakapenka V[J]. Nature, 458, 182(2009).

[32] Einaga M, Sakata M, Ishikawa T, Shimizu K, Eremets M I, Drozdov A P, Troyan I A, Hirao N, Ohishi Y[J]. Nat. Phys., 12, 835(2016).

[33] Wang Y, Lv J, Zhu L, Ma Y[J]. Comput. Phys. Commun., 183, 2063(2012).

[34] Kresse G, Furthmüller J[J]. Phys. Rev. B, 54, 11169(1996).

[35] Chaput L, Togo A, Tanaka I, Hug G[J]. Phys. Rev. B, 84, 094302(2011).

[36] Henkelman G, Arnaldsson A, Jónsson H[J]. Comput. Mater. Sci., 36, 354(2006).

[37] Perdew J P, Burke K, Ernzerhof M[J]. Phys. Rev. Lett., 77, 3865(1996).

[38] Hammer B, Hansen L B, Nørskov J K[J]. Phys. Rev. B, 59, 7413(1999).

Get PDF(in Chinese)

Figures&Tables (7)

References (38)

Copy Citation Text

Xu-Han Shi, Hai-Yan Li, Zhen Yao, Bing-Bing Liu. First-principles study of Ca₅N₄ at high pressure [J]. Acta Physica Sinica, 2020, 69(6): 067101-1

Download Citation

Save the article for my favorites

Paper Information

Recommended Topics

Nuclear physics

Particles and fields

Particle and nuclear astrophysics and cosmology

Set citation alerts for the article

Please enter your email address