Ab initio Study of Y3AlZ (Z = B, C, N, O)

被引：4

作者：

Ghule, A. S. ^{[1
,3
]}

Ghule, S. S. ^{[2
]}

Garde, C. S. ^{[3
]}

Pandey, B. ^{[4
]}

Ramakrishnan, S. ^{[5
]}

Singh, S. ^{[6
]}

Rajarajan, A. K. ^{[7
,8
]}

机构：

[1] Symbiosis Int Deemed Univ, Near Lupin Res Pk, Pune 412115, Maharashtra, India

[2] Bharati Vidyapeeth Deemed Univ, Coll Engn, Pune Satara Rd, Pune 411043, Maharashtra, India

[3] Vishwakarma Inst Informat Technol, S 3&4, Pune 411048, Maharashtra, India

[4] Symbiosis Int Deemed Univ, Symbiosis Inst Technol, Near Lupin Res Pk, Pune 412115, Maharashtra, India

[5] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India

[6] Indian Inst Sci Educ & Res, Dr Homi Bhabha Rd, Pune 411008, Maharashtra, India

[7] Bhabha Atom Res Ctr, Solid State Phys Div, Mumbai 400085, Maharashtra, India

[8] Homi Bhabha Natl Inst, Mumbai 400094, Maharashtra, India

来源：

DAE SOLID STATE PHYSICS SYMPOSIUM 2018 | 2019年 / 2115卷

关键词：

SUPERCONDUCTIVITY;

D O I：

10.1063/1.5113210

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Electronic band structure calculations have been carried out for Y(3)AlZ ( Z = B, C, N, O) system to check the possibility of new superconductor. The band structure calculations were carried out by augmented plane wave and local orbital (APW+LO) method using WIEN2K software, based on density functional theory (DFT). Lattice parameters of Y(3)AlZ system were found with volume optimization. It is observed that lattice parameter decreases with decrease in atomic radii of Z interstitials. Maximum density of states at Fermi level is found for Y3AlB among Y(3)AlZ system.

引用

页数：4

共 5 条

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