Electronic structures and magnetic performance related to spintronics of Sr0.875Ti0.125S

被引：9

作者：

Bourega, Ali ^{[1
]}

Doumi, Bendouma ^{[2
,3
]}

Mokaddem, Allel ^{[3
,4
]}

Sayede, Adlane ^{[5
]}

Tadjer, Abdelkader ^{[6
]}

机构：

[1] Dr Tahar Moulay Univ Saida, Lab Physicochem Studies, Saida 20000, Algeria

[2] Dr Tahar Moulay Univ Saida, Dept Phys, Fac Sci, Saida 20000, Algeria

[3] Ctr Univ Nour Bachir El Bayadh, Lab Instrumentat & Mat Avances, BP 900 Route Aflou, El Bayadh 32000, Algeria

[4] Ctr Univ Nour Bachir El Bayadh, El Bayadh 32000, Algeria

[5] Univ Artois, Fac Sci, CNRS, UMR 8181,UCCS, Rue Jean Souvraz,SP 18, F-62307 Lens, France

[6] Djillali Liabes Univ Sidi Bel Abbes, Modelling & Simulat Mat Sci Lab, Dept Phys, Sidi Bel Abbes 22000, Algeria

来源：

OPTICAL AND QUANTUM ELECTRONICS | 2019年 / 51卷 / 12期

关键词：

Electronic structures; Half-metallic ferromagnetism; Ti-substituted SrS; TB-mBJ; HALF-METALLIC FERROMAGNETISM; BINARY STRONTIUM CHALCOGENIDES; OPTICAL-PROPERTIES; BAND-GAPS; SEMICONDUCTOR; CR; TRANSITION; SRS; MONOLAYER; ATOM(S);

D O I：

10.1007/s11082-019-2107-2

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

In this study, we have used the first-principle approaches of density functional theory to determine the electronic and magnetic performances related to spintronics applications of titanium (Ti)-substituted SrS such as Sr1-xTixS at concentration x = 0.125. The results of electronic and magnetic properties by using TB-mBJ potential revealed that Sr0.875Ti0.125S compound is half-metallic ferromagnetic with a half-metallic gap and a spin polarization of 100%. The ferromagnetic nature of Sr0.875Ti0.125S material is confirmed by the ferromagnetic coupling between magnetic moments of Ti, Sr and S atoms. The total magnetic moment of integer Bohr magneton of 2 mu(B) and the large half-metallic gap of 1.245 suggest that this compound is a true half-metallic ferromagnet.

引用

页数：11

共 50 条

[1] Electronic and Ferromagnetic Properties of 3d(V)-Doped (BaS) Barium Sulfide [J].

Addadi, Zoubida ;

Doumi, Bendouma ;

Mokaddem, Allel ;

Elkeurti, Mohammed ;

Sayede, Adlane ;

Tadjer, Abdelkader ;

Dahmane, Fethallah .

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2017, 30 (04) :917-923

[2]

[Anonymous], 2006, PLANEWAVES PSEUDOPOT, DOI DOI 10.1007/978-1-4757-2312-0

[3]

Becke A. D., 2006, AIP

[4] Theoretical investigation of electronic performance, half-metallicity, and magnetic properties of Cr-substituted BaTe [J].

Berriah, Khelifa ;

Doumi, Bendouma ;

Mokaddem, Allel ;

Elkeurti, Mohammed ;

Sayede, Adlane ;

Tadjer, Abdelkader ;

Araujo, Joao Pedro .

JOURNAL OF COMPUTATIONAL ELECTRONICS, 2018, 17 (03) :909-919

[5] Effects of barium (Ba) doping on structural, electronic and optical properties of binary strontium chalcogenide semiconductor compounds - A theoretical investigation using DFT based FP-LAPW approach [J].

Bhattacharjee, Rahul ;

Chattopadhyaya, Surya .

MATERIALS CHEMISTRY AND PHYSICS, 2017, 199 :295-312

[6] Effects of doping of calcium atom(s) on structural, electronic and optical properties of binary strontium chalcogenides - A theoretical investigation using DFT based FP-LAPW methodology [J].

Bhattacharjee, Rahul ;

Chattopadhyaya, Surya .

SOLID STATE SCIENCES, 2017, 71 :92-110

[7]

Blaha P., 2001, WIEN2K AUGMENTED PLA

[8] Theoretical study of structural, electronic and optical properties of BaxPb1-xS, BaxPb1-xSe and BaxPb1-xTe ternary alloys using FP-LAPW approach [J].

Chattopadhyaya, Surya ;

Bhattacharjee, Rahul .

JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 694 :1348-1364

[9] A Novel Theoretical Investigation of Electronic Structure and Half-Metallic Ferromagnetism in 3d (V)-Doped InP for Spintronic Applications [J].

Cherfi, Yacine ;

Mokaddem, Allel ;

Bensaid, Djillali ;

Doumi, Bendouma ;

Sayede, Adlane ;

Dahmane, Fethallah ;

Tadjer, Abdelkader .

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2016, 29 (07) :1813-1819

[10] Magnetic properties of diluted magnetic semiconductors Li(Zn,TM)N with decoupled charge and spin doping (TM: V, Cr, Mn, Fe, Co and Ni) [J].

Cui, Y. ;

Zhu, J. G. ;

Tao, H. L. ;

Liu, S. M. ;

Lv, Y. Z. ;

He, M. ;

Song, B. ;

Chen, Y. G. ;

Zhang, Z. H. .

COMPUTATIONAL MATERIALS SCIENCE, 2019, 158 :260-264

← 1 2 3 4 5 →