Half-metallicity, magnetism and electrical resistivity of Sn1−xMnxTe alloys in rock salt and zinc blende structures

Liu, Yong; Bose, Sangita; Kudrnovský, J.

doi:10.1016/j.jmmm.2014.09.031

Cited by 8 publications

(11 citation statements)

References 45 publications

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“…Moreover, effective magnetic doping in SnTe is still a challenge -well-defined controllable magnetism in SnTe has never been achieved by TM doping, preventing the further investigations about magnetic effect in TCIs. Recently, the electronic and magnetic properties of V, Cr or Mn-doped SnTe are theoretically studied 28,29 . However, the high doping concentration considered in these studies doesn't agree with the realistic experiment [25][26][27] , and probably suppresses the TCI phase.…”

Section: Topological Crystalline Insulator (Tci)mentioning

confidence: 99%

Defect energetics and magnetic properties of 3d-transition-metal-doped topological crystalline insulator SnTe

Wang

Chen

et al. 2016

Sci. China Phys. Mech. Astron.

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The introduction of magnetism in SnTe-class topological crystalline insulators is a challenging subject with great importance in the quantum device applications. Based on the first-principles calculations, we have studied the defect energetics and magnetic properties of 3d transition-metal (TM)-doped SnTe. We find that the doped TM atoms prefer to stay in the neutral states and have comparatively high formation energies, suggesting that the uniform TM doping in SnTe with a higher concentration will be difficult unless clustering. In the dilute doping regime, all the magnetic TM atoms are in the high-spin states, indicating that the spin splitting energy of 3d TM is stronger than the crystal splitting energy of the SnTe ligand. Importantly, Mn-doped SnTe has relatively low defect formation energy, largest local magnetic moment, and no defect levels in the bulk gap, suggesting that Mn is a promising magnetic dopant to realize the magnetic order for the theoretically-proposed large-Chern-number quantum anomalous Hall effect (QAHE) in SnTe.

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Section: Topological Crystalline Insulator (Tci)mentioning

confidence: 99%

Defect energetics and magnetic properties of 3d-transition-metal-doped topological crystalline insulator SnTe

Wang

Chen

et al. 2016

Sci. China Phys. Mech. Astron.

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“…The calculations were presented for the RS structure, as well as the closely competing zinc blende (ZB) structure. [18][19][20] For comparison with experiments the doping in the above studies was limited to the Ge-or Sn-sublattice, as most of the experiments indicated that doping was primarily in the Ge(Sn)-sublattice. The equilibrium structures reported for these TM-doped compounds are RS or small deviations from the RS structure.…”

Section: Introductionmentioning

confidence: 99%

“…The details of our theoretical results together with references to experiments can be found in these publications. [18][19][20] Nadolny et al 3 find that for very low Mn-doping case (x ≤ 0.04) in Mn x Sn 1x Te the specimens show FM behavior with T c ≤ 6 K only if they are subjected to extra Teflux. The authors surmise that exposure to extra Te-flux creates carriers and refer to this phenomenon as 'carrier concentration induced ferromagnetism.'…”

Section: Introductionmentioning

confidence: 99%

“…The authors surmise that exposure to extra Te-flux creates carriers and refer to this phenomenon as 'carrier concentration induced ferromagnetism.' In view of the above theoretical and experimental results we have decided to complement the previous studies [18][19][20] by considering the magnetic effects of TM-doping of the Te-sublattice. The object is to investigate how the TM-TM interactions differ from that in case of Ge(Sn)-sublattice doping.…”

Section: Introductionmentioning

confidence: 99%

“…In addition, studies so far have been confined to RS structure or small deviations thereof. Our previous studies [18][19][20] involving ZB structure and the present study involving TM-doping of the Te-sublattice are based on the expectation that fabrication of such materials, in spite of their positive formation energies, may become possible with advances in materials processing and growth. The compound CrTe occurs in its natural NiAs-type hexagonal structure, but Sreenivasan et al 21 and Bi et al 22 have reported growing ∼5 nm thick ZB CrTe using molecular-beam epitaxy on GaAs (100) substrate via a ZnTe buffer layer.…”

Section: Introductionmentioning

confidence: 99%

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Electronic structure and magnetism of Ge(Sn)TMXTe1−X (TM = V, Cr, Mn): A first principles study

2016

Self Cite

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This work presents the results of first principles calculations of the electronic and magnetic properties of the compound SnTe and GeTe in zinc blende (ZB) and rock salt (RS) structures, doped with 3d transition metal V, Cr, and Mn. The present study, initiated from the viewpoint of potential application in spintronics, is motivated by our earlier work involving these two compounds, where the doping was limited to the Sn and Ge sublattices. In view of some discrepancies between our calculated results and the available experimental data, in this work we have examined the effect of the Te-sublattice doping. The case of Mn-doping, where the previous results of calculations seemed to differ most from the experimentally available data, is examined further by looking at the effect of Mn atoms partially occupying interstitial sites as well. From the standpoint of potential application in spintronics, we look for half-metallic (HM) states and tabulate their properties in both rock salt and zinc blende structures. ZB structure is found to be more conducive to HM state in general. Among the binary compounds we identify several HM candidates: VGe, VSn, MnGe, MnSn and MnTe at their equilibrium volumes and all in ZB structure. Estimates of the Curie temperature for the ferromagnetic compounds including the half-metals are presented. It is shown that despite the ferromagnetic (FM) nature of the Mn-Mn interaction for the Te-doped case, a simultaneous doping of both Ge(Sn)-and Te-sublattice with Mn atoms would leave the material predominantly antiferromagnetic (AFM).

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First-principles Study on Half-metallic Properties of the CoMnCrSb Quaternary Heusler Compound

Berri

2016

J Supercond Nov Magn

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Half-metallicity, magnetism and electrical resistivity of Sn1−xMnxTe alloys in rock salt and zinc blende structures

Cited by 8 publications

References 45 publications

Defect energetics and magnetic properties of 3d-transition-metal-doped topological crystalline insulator SnTe

Defect energetics and magnetic properties of 3d-transition-metal-doped topological crystalline insulator SnTe

Electronic structure and magnetism of Ge(Sn)TMXTe1−X (TM = V, Cr, Mn): A first principles study

First-principles Study on Half-metallic Properties of the CoMnCrSb Quaternary Heusler Compound

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