Tailoring the Inherent Magnetism and Thermoelectric Response of Pyrochlore Oxide A2B2O7 (A = Er, B = Ru, Sn, Ge, Pt): A Computational Approach

被引：23

作者：

Berri, Saadi ^{[1
,2
]}

Kaur, Kulwinder ^{[3
]}

Gupta, Dinesh C. ^{[4
]}

Sofi, Shakeel Ahmad ^{[4
,5
]}

Singh, Jaspal ^{[6
]}

Srinivasana, Marutheeswaran ^{[7
]}

Wani, Aadil Fayaz ^{[8
]}

Lone, Ikram Un Nabi ^{[5
]}

机构：

[1] Univ Setif 1, Lab Developing New Mat & Their Characterizat, Setif, Algeria

[2] Univ Msila, Fac Sci, Dept Phys, Msila 28000, Algeria

[3] Mehr Chand Mahajan DAV Coll Women, Dept Phys, Chandigarh 160036, India

[4] Jiwaji Univ, Sch Studies Phys, Condensed Matter Theory Grp, Gwalior, India

[5] Govt Degree Coll Boys, Kathua, Jammu & Kashmir, India

[6] Mata Sundri Univ Girls Coll, Dept Phys, Mansa 151505, PB, India

[7] Amrita Vishwa Vidyapeetham, Sch Phys Sci, Mysore 570026, India

[8] Punjab Engn Coll, Dept Appl Sci, Chandigarh 160012, India

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2023年 / 36卷 / 04期

关键词：

Pyrochlore oxide; Magnetism; band structure; Seebeck coefficient; Figure of merit; HALF-METALLIC PROPERTIES; THERMODYNAMIC PROPERTIES; 1ST-PRINCIPLES; CONDUCTIVITY; PERFORMANCE; BEHAVIOR; SPECTRA; HEUSLER;

D O I：

10.1007/s10948-023-06543-2

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

In this work, the first principle approach is used extensively to scrutinize the magneto-electronic properties of ternary A(2)B(2)O(7) (A = Er and B = Ru, Sn, Ge, Pt) to explore its significance in spintronics applications. The calculations reveal that Er2Ge2O7 is a half-metallic material with a bandgap of 3.74 eV (up arrow) and Er-2(Sn, Pt)(2)O-7 are magnetic semiconductors, which is promising for spintronic applications. Thermoelectric coefficients such as the figure of merit thermal and electrical conductivities, the Seebeck coefficient (S), are also examined to check the possibility of these materials in the field of thermoelectric. The computed value of ZT reflects (ZT similar to 1) A(2)B(2)O(7) materials and reveals that such type of materials holds a virtuous route towards thermoelectric applicability.

引用

页码：1203 / 1215

页数：13

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