Valence states and electronic structures of Co and Mn substituted spin gapless semiconductor PbPdO<sub>2</sub>

Kim, D. H.; Hwang, Jihyun; Lee, Eun-Sook; Lee, K. J.; Choo, Seong-Min; Jung, Myung‐Hwa; Baik, Jaeyoon; Shin, Hyun Joon; Kim, Bongjae; Kim, Kyoo; Min, B. I.; Kang, J.‐S.

doi:10.1063/1.4861883

Cited by 22 publications

(9 citation statements)

References 24 publications

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“…The spin‐gapless semiconductors with low spin magnetic moments may be desirable for some realistic applications, since they lead to small energy losses due to the lower external magnetic field created with respect to their ferromagnetic counterparts (). Therefore, these spin‐gapless semiconductors are very promising materials for spintronic applications .…”

Section: Introductionmentioning

confidence: 99%

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn₂CoAl inverse Heusler alloy under pressure

Chen

Zhong

Feng

et al. 2015

Physica Status Solidi (b)

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Abstractauthoren Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting (SGS) Mn2CoAl inverse Heusler alloy under pressure are investigated by using the density functional theory (DFT) and the quasi‐harmonic Debye model. The calculated equilibrium lattice parameter and SGS behavior agree with the experimental and other theoretical data. It is only when the external pressure is beyond about 25 GPa that the SGS behavior and dynamical stability are destroyed, indicating that the SGS behavior is robust against pressure less than 25 GPa in everyday experiments. Furthermore, the thermal properties, including bulk modulus B, thermal expansivity α, Grüneisen parameter γ, heat capacity CV, and Debye temperature ΘD of Mn2CoAl are evaluated up to 25 GPa. These thermodynamic properties will be referenced in the further experiments. The calculated phonon dispersion curves of Mn2CoAl at different pressures.

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Section: Introductionmentioning

confidence: 99%

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn₂CoAl inverse Heusler alloy under pressure

Chen

Zhong

Feng

et al. 2015

Physica Status Solidi (b)

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“…8,9 In addition, our previous studies showed that the magnetic ground states of PbPdO 2 are tuned from ferromagnetic to antiferromagnetic by Co and Mn doping, respectively, and the valence states of Co and Mn are trivalent and tetravalent. [10][11][12] Most of the studies have been done on the magnetically doped PbPdO 2 . [4][5][6][7][8][9][10][11][12][13][14][15] In this work, we investigate the fundamental physical properties of Zn-and Cu-doped PbPdO 2 , i.e., PbPd 0.9 Zn 0.1 O 2 , and PbPd 0.9 Cu 0.1 O 2 , which are diamagnetic and paramagnetic, respectively.…”

mentioning

confidence: 99%

“…[10][11][12] Most of the studies have been done on the magnetically doped PbPdO 2 . [4][5][6][7][8][9][10][11][12][13][14][15] In this work, we investigate the fundamental physical properties of Zn-and Cu-doped PbPdO 2 , i.e., PbPd 0.9 Zn 0.1 O 2 , and PbPd 0.9 Cu 0.1 O 2 , which are diamagnetic and paramagnetic, respectively. These different magnetic states are related with the O 2p-Pd 4d hybridized states interacting with the different 3d electronic states of Zn and Cu ions.…”

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confidence: 99%

Magnetic versus nonmagnetic ion substitution effects in gapless semiconductor PbPdO2

Lee

Choo

Jung

2015

Applied Physics Letters

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PbPdO2 is a gapless semiconductor, of which the physical properties are easily tuned by external parameters such as temperature, magnetic field, and chemical doping. We have studied the physical properties tuned by magnetic and nonmagnetic ion substitutions. When Pd in PbPdO2 is substituted by Zn, that is, divalent and nonmagnetic with 3d10 (S = 0), the electrical resistivity decreases and the magnetic properties are not changed to remain diamagnetic. However, by substituting Cu2+ (3d9) with S = 1/2, the electrical resistivity increases and the magnetization shows paramagnetic behavior. Another noticeable feature in the magnetic versus nonmagnetic ion substitution is found in the magneto-transport data. The magnetoresistance for PbPd0.9Cu0.1O2 is positive, compared with the negative behavior for PbPd0.9Zn0.1O2. These results propose that chemical dopants play an important role in optimizing the tunability of the physical properties of gapless semiconductors.

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“…15 This hypothesis was recently confirmed by Kim and collaborators who studied polycrystalline films of Mn and Co doped PbPdO 2 . 16 Other SGS materials include (i) the graphene ribbons altered by CH 2 radical groups, 17 where the magnetism stems from the unsaturated carbon states, (ii) graphene nanoribbons with sawtooth edges under a transverse electrical field, 18 (iii) the ferromagnetic semiconductor HgCr 2 Se 4 , which becomes SGS under a pressure of 9 GPa, 19 (iv) the BN nanoribbons with vacancies, 20 and (v) Fe and Cr doped boron nitride sheets. 21 Within the Heusler compounds, several have been identified to be SGSs.…”

Section: Introductionmentioning

confidence: 99%

Conditions for spin-gapless semiconducting behavior in Mn2CoAl inverse Heusler compound

Galanakis¹,

Özdoğan²,

Şaşıoğlu³

et al. 2014

Journal of Applied Physics

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Employing ab initio electronic structure calculations, we investigate the conditions for spin-gapless semiconducting (SGS) behavior in the inverse Mn 2 CoAl Heusler compound. We show that tetragonalization of the lattice, which can occur during films growth, keeps the SGS character of the perfect cubic compound. On the contrary, atomic swaps even between sites with different local symmetry destroy the SGS character giving rise to a half-metallic state. Furthermore, the occurrence of Co-surplus leads also to half-metallicity. Thus, we propose that in order to achieve SGS behavior during the growth of Mn 2 CoAl (and similar SGS Heusler compounds) thin films, one should minimize the occurrence of defects, while small deformations of the lattice, due to the lattice mismatch with the substrate, do not play a crucial role. V C 2014 AIP Publishing LLC.

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Valence states and electronic structures of Co and Mn substituted spin gapless semiconductor PbPdO₂

Cited by 22 publications

References 24 publications

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn₂CoAl inverse Heusler alloy under pressure

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn₂CoAl inverse Heusler alloy under pressure

Magnetic versus nonmagnetic ion substitution effects in gapless semiconductor PbPdO2

Conditions for spin-gapless semiconducting behavior in Mn2CoAl inverse Heusler compound

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Valence states and electronic structures of Co and Mn substituted spin gapless semiconductor PbPdO2

Cited by 22 publications

References 24 publications

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn2CoAl inverse Heusler alloy under pressure

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn2CoAl inverse Heusler alloy under pressure

Magnetic versus nonmagnetic ion substitution effects in gapless semiconductor PbPdO2

Conditions for spin-gapless semiconducting behavior in Mn2CoAl inverse Heusler compound

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Valence states and electronic structures of Co and Mn substituted spin gapless semiconductor PbPdO₂

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn₂CoAl inverse Heusler alloy under pressure

Structural, electronic, elastic, and thermodynamic properties of the spin‐gapless semiconducting Mn₂CoAl inverse Heusler alloy under pressure