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 conduction in the magnetic semiconductor NdN

Holmes-Hewett, W. F.; Buckley, R. G.; Ruck, B. J.; Natali, F.; Trodahl, H. J.

doi:10.1103/physrevb.100.195119

Cited by 12 publications

(18 citation statements)

References 37 publications

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“…The mononitrides LnN (where Ln is a lanthanide element) represent a rare case of ferromagnetic semicoductors/semimetals [1,2,3,4,5] standing out among other lanthanide pnictides, which are generally antiferromagnets [6]. In the ferromagnetic state, both the top of the valence and bottom of the conduction band in LnN are expected to be of majority-spin character resulting in a complete spin polarization of hole and electron carriers [3].…”

Section: Introductionmentioning

confidence: 99%

“…The mononitride series is thus promising for spintronics applications [7,8]. It has attracted a renewed interest recently, especially from the experimental side, with detailed measurements of the optical conductivity in NdN [4], SmN [9,10] and DyN [5], quantitative studies of the effects of nitrogen vacancies in SmN [11] and DyN [5] and attempts to reconstruct the band structure of NdN [4] and SmN [9] from optical measurements.…”

Section: Introductionmentioning

confidence: 99%

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Electronic structure of rare-earth mononitrides: quasiatomic excitations and semiconducting bands

Galler,

Pourovskii

2021

Preprint

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The electronic structure of the rare-earth mononitrides LnN (where Ln =rare-earth), which are promising materials for future spintronics applications, is difficult to resolve experimentally due to a strong influence of defects on their transport and optical properties. At the same time, LnN are challenging for theory, since wide semiconducting/semimetallic 2p and 5d bands need to be described simultaneously with strongly correlated 4f states. Here, we calculate the many-body spectral functions and optical gaps of a series of LnN (with Ln = Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er) by a density-functional+dynamical mean-field theory (DFT+DMFT) approach treating the correlated Ln 4f shells within the quasi-atomic Hubbard-I approximation. The on-site Coulomb interaction in the 4f shell is evaluated by a constrained DFT+Hubbard-I approach. Furthermore, to improve the treatment of semiconducting bands in DFT+DMFT, we employ the modified Becke-Johnson semilocal exchange potential. Focusing on the paramagnetic high-temperature phase, we find that all investigated LnN are pd semiconductors with gap values ranging from 1.02 to 2.14 eV along the series. The pd band gap is direct for light Ln = La...Sm and becomes indirect for heavy rare-earths. Despite a pronounced evolution of the Ln 4f states along the series, empty 4f states are invariably found above the bottom of the 5d conduction band. The calculated spectra agree well with those available from x-ray photoemission, x-ray emission and x-ray absorption measurements.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Electronic structure of rare-earth mononitrides: quasiatomic excitations and semiconducting bands

Galler,

Pourovskii

2021

Preprint

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“…A semi-classical description developed for the case of GdN has found quantitative agreement with experiment [12]. Similar descriptions were then applied to SmN [59] and NdN [22] and used to show the influence of the 4f levels on the conduction channels in both materials.…”

Section: Electrical Transport and Optical Measurementsmentioning

confidence: 76%

“…The interplay of the extended L 5d (N 2p) states in the conduction (valence) band and the unfilled (filled) L 4f states provides many different hybridisation scenarios in which strongly correlated behaviours can be studied. The choice of lanthanide element in the rare earth nitride can be used to select the energy of the 4f levels relative to the valence or conduction band extrema [21,22]. Furthermore, as these materials can be doped, it is possible to tune the Fermi energy to near the location of this hybridisation and observe the effect on the transport properties.…”

Section: Chaptermentioning

confidence: 99%

“…In addition to the redshift of the absorption onset the development of an additional contribution to the absorption at ∼ 1.7 eV in low-temperature measurements signals transitions between the minority spin bands at the X point [61]. Optical measurements of DyN [62], NdN [22,43], YbN [57], EuN [27] and SmN [21,63] have all found bandgaps near 1 eV and at most weak indications of free carriers in moderately doped samples.…”

Section: Electrical Transport and Optical Measurementsmentioning

confidence: 99%

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Transport Properties of Rare Earth Nitrides

Holmes-Hewett¹

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<p>In this thesis we investigate the transport properties of SmN, NdN and GdN, members of the rare earth nitride series of intrinsic ferromagnetic semiconductors. GdN is the central member of the series with seven occupied majority spin 4f states and seven empty minority spin 4f states. Both the filled and unfilled 4f states are some few eV away from the conduction and valence band extrema, resulting in transport properties which are dominated by the extended Gd 5d band. The half filled 4f shell, with zero net orbital angular momentum, furthermore simplifies calculations and as such GdN is the most studied both experimentally and in theory. As one moves to lighter members, the filled 4f states become unfilled states in the conduction band and the 4f shell now has a net orbital angular momentum. Calculations concerning these members are now significantly more complicated, and as such there exists a wide range of predictions concerning the conduction band minima in the lighter rare earth nitrides. To inform the current theoretical and experimental literature we report on three studies concerning the transport properties of SmN, NdN and GdN. To begin we report on the anomalous Hall effect in SmN, NdN and GdN. Under the symmetry of the rock-salt rare earth nitrides the magnitude of the anomalous Hall effect can imply the wave function of the conduction electron (i.e. d or f band). Measurements of the anomalous Hall effect in moderately doped samples are used to show the conduction channel in SmN and NdN is an f band or hybridised f/d band. Furthermore the sign of the anomalous Hall effect can be used to determine the orientation of the spin magnetic moment of the conduction electrons. Optical measurements of SmN, NdN and GdN films are then reported. Optical measurements provide a probe of the band structure of a material via direct transitions between the valence and conduction bands. Measurements of reflectivity and transmission on undoped SmN and NdN films were used to locate the unfilled majority spin 4f bands which form the conduction band minima in each material. Finally a preliminary study of heavily doped SmN, NdN and GdN is discussed. Structural measurements show a reduced lattice parameter while transport results find a significantly enhanced conductivity in heavily doped films. The Curie temperature is found to be enhanced and optical measurements show an increased absorption and red-shifted optical edge in doped films. The superconducting state of SmN is discussed and it is shown only to be present in moderately doped films, i.e. superconductivity is not present in undoped or degenerately doped SmN, within our measurement limits.</p>

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Synthesis, Structure, and Properties of Volatile Lanthanide Dialkyltriazenides

Caroff

Girolami

2022

Inorg. Chem.

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Several dialkyltriazenide complexes of the lanthanide elements neodymium, europium, and erbium have been prepared; these include the homoleptic complex Er(Bu t N 3 Bu t ) 3 , the tetrahydrofuran monoadducts Ln(Bu t N 3 Bu t ) 3 (THF) where Ln = Nd or Eu, and the lithium salts [Li(THF)][Ln(MeN 3 Bu t ) 4 ] where Ln = Eu or Er. Crystal structures, nuclear magnetic resonance data, and infrared data are reported for all complexes. The di-tert-butyltriazenide complexes are thermally stable, sublime at reasonably low temperatures, and show smooth volatilization without decomposition, which make them potentially useful in lanthanide separation processes and as chemical vapor deposition precursors for lanthanide nitrides and other phases.

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4f conduction in the magnetic semiconductor NdN

Cited by 12 publications

References 37 publications

Electronic structure of rare-earth mononitrides: quasiatomic excitations and semiconducting bands

Electronic structure of rare-earth mononitrides: quasiatomic excitations and semiconducting bands

Transport Properties of Rare Earth Nitrides

Synthesis, Structure, and Properties of Volatile Lanthanide Dialkyltriazenides

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