Refinement of the structures of GeS, GeSe, SnS and SnSe

Wiedemeier, H.; Schnering, Hans Georg̀ von

doi:10.1524/zkri.1978.148.3-4.295

Cited by 266 publications

(192 citation statements)

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“…3a); no other peaks are observed that correspond to other tin oxide or sulfide species. The calculated unit cell parameters of the herzenbergite SnS films (shown in Table 1) match the expected (Pbnm) space group, with lattice parameters that closely match with those reported in literature [34,35]. The films heated at 400°C have strong, well-defined diffraction peaks.…”

Section: Resultssupporting

confidence: 82%

A facile method for the production of SnS thin films from melt reactions

et al. 2016

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Tin(II)O-ethylxanthate [Sn(S 2 COEt) 2 ] was prepared and used as a single-source precursor for the deposition of SnS thin films by a melt method. Polycrystalline, (111)-orientated, orthorhombic SnS films with controllable elemental stoichiometries (of between Sn 1.3 S and SnS) were reliably produced by selecting heating temperatures between 200 and 400°C. The direct optical band gaps of the SnS films ranged from 1.26 to 1.88 eV and were strongly influenced by its Sn/S ratio. The precursor [Sn(S 2 COEt) 2 ] was characterized by thermogravimetric analysis and attenuated total reflection Fourier-transform infrared spectroscopy. The as-prepared SnS films were characterized by scanning electron microscopy, energy-dispersive X-ray spectroscopy, powder X-ray diffractometry, Raman spectroscopy, and UV-Vis spectroscopy.

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Section: Resultssupporting

confidence: 82%

A facile method for the production of SnS thin films from melt reactions

et al. 2016

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“…Theory (DFT-LDA) [7] Experimental [6] Present Theory (DFT-LDA) [3] Theory (DFT-GGA) [3] Theory (FP-LAPW with GGA) [3] Theory (FP-LAPW with GGA) [36] Theory (FP-LAPW with GGA) [15] Experimental [37] Experimental [38] Experimental [39] The energy band structures calculated for SnS and GeS are shown in Fig. 1.…”

Section: Ges Presentmentioning

confidence: 99%

“…In the past, some detailed works [1][2][3][4][5][6][7] have been carried out on the structural and electronic properties of these compounds. Rathor et al [3] presented the bands and density of states (DOS) using the Hartree-Fock, density functional and pseudopotential schemes.…”

mentioning

confidence: 99%

“…Waghmare et al [5] calculated the phonon frequencies, electron localization lengths, Born effective charges, dielectric response, and conventional electronic structures of the IV-VI chalcogenide series using the first principle density functional theory. Wiedemeier et al [6] refined the structures of GeS, GeSe, SnS, and SnSe using the X-ray diffractometer. Malone et al [7] performed the electronic structures of SnS and GeS materials using the density functional theory calculation.…”

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confidence: 99%

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Mechanical, electronic, and optical properties of the A₄B₆ layered ferroelectrics: ab initio calculation

Koç

Sımsek

Palaz

et al. 2015

Phys. Status Solidi C

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We have performed a first principles study of the structural, elastic and electronic properties of orthorhombic SnS and GeS compounds using the density functional theory within the local density approximation. The second‐order elastic constants have been calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities, Debye temperature, and hardness have also been estimated in the present work. All of the calculated modulus and Poisson's ratio for SnS were less than the same parameters for GeS. Our calculations have discovered the large anisotropy of elastic parameters in the (100) and (010)‐planes for both compounds. The band structures of orthorhombic SnS and GeS have been calculated along high symmetry directions in the first Brillouin zone (BZ). The calculation results for the band gap of Sn(Ge)S gave Eg = 0.256 eV (0.852 eV) and has an indirect character for an interband transition. The real and imaginary parts of dielectric functions and (by using these results) the optical constant such as energy‐loss function, the effective number of valance electrons and the effective optical dielectric constant were calculated. All of the principal features and singularities of the dielectric functions for both compounds were found in the energy region between 2 eV and 20 eV. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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“…Элементарная ячейка кристалла содержит два слоя, переходящих друг в друга под действием опера-ции инверсии. Согласно [3], координаты атомов внутри элементарной ячейки, выраженные в долях параметров…”

Section: Introductionunclassified

Фотопорог слоистого кристалла alpha-GeS: расчет из первых принципов

Джахангирли¹,

Гашимзаде²,

Гусейнова³

et al. 2018

Физика И Техника Полупроводников

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Из первых принципов на основе метода функционала плотности рассчитан фотопорог слоистого кристалла α-GeS в зависимости от его толщины. Для моделирования кристалла конечной толщины использовался метод периодических пластин. Две соседние кристаллические пластины, состоящие из нескольких слоев, разделялись вакуумом толщиной в 4 слоя, что соответствует удвоенному размеру элементарной ячейки объемного кристалла. Показано, что при толщине кристалла более 10 слоев величина фотопорога практически не меняется.

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Refinement of the structures of GeS, GeSe, SnS and SnSe

Abstract: The orthorhombic structures (Pbnm-Di~; No. 62) of GeS, GeSe, SnS and SnSe have been refined (X-ray diffractometer data:

Cited by 266 publications

References 10 publications

A facile method for the production of SnS thin films from melt reactions

A facile method for the production of SnS thin films from melt reactions

Mechanical, electronic, and optical properties of the A₄B₆ layered ferroelectrics: ab initio calculation

Фотопорог слоистого кристалла alpha-GeS: расчет из первых принципов

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Refinement of the structures of GeS, GeSe, SnS and SnSe

Abstract: The orthorhombic structures (Pbnm-Di~; No. 62) of GeS, GeSe, SnS and SnSe have been refined (X-ray diffractometer data:

Cited by 266 publications

References 10 publications

A facile method for the production of SnS thin films from melt reactions

A facile method for the production of SnS thin films from melt reactions

Mechanical, electronic, and optical properties of the A4B6 layered ferroelectrics: ab initio calculation

Фотопорог слоистого кристалла alpha-GeS: расчет из первых принципов

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Mechanical, electronic, and optical properties of the A₄B₆ layered ferroelectrics: ab initio calculation