Structural properties, infrared reflectivity, and Raman modes of SnO at high pressure

Wang, X.; Zhang, F. X.; Loa, I.; Syassen, K.; Hanfland, Michael; Mathis, Y.-L.

doi:10.1002/pssb.200405231

Cited by 87 publications

(124 citation statements)

References 28 publications

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“…SnO is tetragonal (a = b = 3.79982(9) Å, c = 4.816(1) Å [8]). The unit cell contains two formula units with the oxygen atoms placed at (0; 0; 0) and (1/2; 1/2; 0) and the tin atoms at (0; 1/2; v) and (1/2; 0; −v), with v = 0.2374(8) [8].…”

Section: Sample Preparation and Measurementsmentioning

confidence: 99%

TDPAC study of Cd-doped SnO

et al. 2007

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The combination of hyperfine techniques and ab initio calculations has been shown to be a powerful tool to unravel structural and electronic characterizations of impurities in solids. A recent example has been the study of Cddoped SnO, where ab initio calculations questioned previous TDPAC assignments of the electric-field gradient (EFG) in 111 In-implanted Sn-O thin films. Here we present new TDPAC experiments at 111 In-difused polycrystalline SnO. A reversible temperature dependence of the EFG was observed in the range 295-900 K. The TDPAC results were compared with theoretical calculations performed with the fullpotential linearized augmented plane wave (FP-LAPW) method, in the framework of the density functional theory. Through the comparison with the theoretical results, E. L. Muñoz (B) · L. A. Errico · M. Rentería E.L. Muñoz et al.we infer that different electronic surroundings around Cd impurities can coexist in the SnO sample.

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Section: Sample Preparation and Measurementsmentioning

confidence: 99%

TDPAC study of Cd-doped SnO

et al. 2007

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“…Each slab consists of square planar arrangement of oxygen atoms (O-O = 2.69 Å ), sandwiched between sub layers of tin ions. Tin ions form four square pyramidal bonds with bond length in the range of 2.22 Å with oxygen atoms [17]. The electronic band gap of SnO phase lies between 2.5 and 3 eV at room temperature, which is smaller to phase [SnO 2 (3.6 eV)].…”

Section: Introductionmentioning

confidence: 99%

Study of microstructural, optical and electrical properties of Mg dopped SnO thin films

Ali

Muhammad

Hussain

et al. 2013

J Mater Sci: Mater Electron

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Mg doped SnO thin films were fabricated via electron beam evaporator on the glass substrate. The XRD analysis showed that reference and Mg doped SnO thin films were consisted of tetragonal a-SnO phase with preferred directions along (101) and (002) orientations. It was observed that the intensity of the diffraction pattern peaks increased and crystallite size decreased with the Mg doping. Scanning electron microscopy showed that the needlelike particles having length in the range of 0.4-0.6 lm with a diameter of 0.1-0.2 lm are sintered together to form a compact structure of Sn 1-x Mg x O layer. In the Raman spectrum, two active mode (A 2u and E u ) were observed for Sn 1-x Mg x O thin films. The complex plot (Nyquist plot) showed the data point laying on a single semicircle and the dc resistance increases with the increase of Mg doping concentration.

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“…both the crystal and electronic structure are similar to those of superconducting iron pnictides (FeAs and FeSe-based compounds) [1]. On the other hand, unlike the iron pnictides, SnO is nonmagnetic and does not show any structural phase transitions up to P = 19.3 GPa [2].Thus far, the available electronic structure calculations of SnO at high pressure have been performed for high pressures up to 10 GPa (where V/V 0 =0.90) and have been limited to calculation of the E(k) dispersion curves [1,3,4,5]. The minor role of Sn 5p states near the Fermi level at ambient pressure was examined by Watson [6], he showed that these states are shifted to lower energies due to the hybridized combination of the O 2p and Sn 5s states just below the Fermi level to provide stability for the litharge structure.…”

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Nature of the electronic states involved in the chemical bonding and superconductivity at high pressure in SnO

et al. 2011

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We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to 19.3 GPa where superconductivity was observed. It was found that the Sn valence states (5s, 5p, and 5d ) are strongly hybridized with the O 2p states, and that our DFT calculations are in good agreement with O K -edge X-ray spectroscopy measurements for both occupied and empty states. It was demonstrated that the metallic states appearing under pressure in the semiconducting gap stem due to the transformation of the weakly hybridized O 2p -Sn 5sp subband corresponding to the lowest valence state of Sn in SnO. We discuss the nature of the electronic states involved in chemical bonding and formation of the hole and electron pockets with nesting as a possible way to superconductivity. PACS: 74.20.Pq, 74.70.Ad, 74.62.Fj, 78.70.En Guided by research in iron pnictides, superconductivity was observed recently in the layered (α-PbO-type) crystal SnO at high pressure with T c = 1.4 K and B c2 = 0.6 T at P = 9.3 GPa [1]. It was found that electronic structure of SnO at 7 GPa is that of a metal with a hole pocket at the Γ-point and electron pockets at the M-point of Brillouin zone, i.e. both the crystal and electronic structure are similar to those of superconducting iron pnictides (FeAs and FeSe-based compounds) [1]. On the other hand, unlike the iron pnictides, SnO is nonmagnetic and does not show any structural phase transitions up to P = 19.3 GPa [2].Thus far, the available electronic structure calculations of SnO at high pressure have been performed for high pressures up to 10 GPa (where V/V 0 =0.90) and have been limited to calculation of the E(k) dispersion curves [1,3,4,5]. The minor role of Sn 5p states near the Fermi level at ambient pressure was examined by Watson [6], he showed that these states are shifted to lower energies due to the hybridized combination of the O 2p and Sn 5s states just below the Fermi level to provide stability for the litharge structure.The superconductivity of SnO and layered iron pnictides is increasingly being examined from the perspective of the Fermi surface which is often calculated by density functional theory (DFT). Because the superconductivity of SnO arises during a semiconductor to 1)

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Structural properties, infrared reflectivity, and Raman modes of SnO at high pressure

Cited by 87 publications

References 28 publications

TDPAC study of Cd-doped SnO

TDPAC study of Cd-doped SnO

Study of microstructural, optical and electrical properties of Mg dopped SnO thin films

Nature of the electronic states involved in the chemical bonding and superconductivity at high pressure in SnO

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