On the electron states of SnSe

Section: T a B L Ementioning

confidence: 98%

Band structure of TIGaSe₂ ternary layered crystals

Abdullaeva

Mamedov

1986

“…Despite the large interest in electronic properties of semiconductor crystals of the type IV-VI, theoretical investigations of the electron band structure of orthorhombic chalcogenides GeS, GeSe, SnS, and SnSe have only been performed at point I ' for the SnS compound [l, 21 and on some symmetry lines for GeS [3]. Further a partial and preliminar account of present results has been reported [4]. Indeed, the low symmetry, the high number of atoms in the unit cell and the high average number of electrons per atom pose rather severe computational constraints and make the electron state calculation for these compounds more complicate than for t,he rocksalt ones.…”

Section: Introductionmentioning

confidence: 99%

Electronic band structure of SnSe

Car¹,

Ciucci²,

Quartapelle³

1978

Self Cite

R. CAR et al.: Electronic Band Structure of SnSe 471 phys. stat. sol. (b) 86, 471 (1978) Subject classification: 13.1 ; 22 htitWt0 d i Fi8ic.a del Politecnico (a) and Gmppo Nazionale d i 8tmttura dells Materia del C.N.R. (a), Milano Electronic Band Structure of SnSe BY R. CAR (a), G. CIUCCI (b), and L. QUARTAPELLE (a)The electronic bands of SnSe are calculated along all high symmetry lines of the Brillouin zone using the local empirical pseudopotential method. Spectralization of the involved large matrices is performed by means of a new approximate folding-down method which locates the s-states of valence bands much better than the Lowdin-Brust perturbative technique. The parameters of the analytical form used to interpolate the pseudopotentials are roughly adjusted to obtain a band structure consistent with optical and photoelectric data. Satisfactory results for the general features are obtained, a better agreement requiring a more cautious tuning of pseudopotential values in the region of small wave vectors.Die elektronischen SnSe-Biinder werden liings der Hochsymmetrie-Linien der Brillouin-Zone nach dem ortlichen empirischen Pseudopotentialverfahren berechnet. Die Eigenwerte der betreffenden groBen Matrizen werden mit einem neuen Niiherungsverfahren berechnet, wodurch die Energiewerte der s-Zustinde der Biinder vie1 besser als mit der Lowdin-Brust-Technik ermittelt werden. Die Parameter der Pseudopotentiale werden SO gewiihlt, daB eine zu den optischen und photoelektrischen Angaben passende Bandstruktur entsteht. Es werden befriedigende Ergebnisse in dem wesentlichen Verlauf erreicht, wobei fur eine bessere Ubereinstimmung eine vorsichtigere Einstellung der Pseudopotentialwerte im Gebiet der kleinen Wellenvektoren erforderlich ist.

“…The first calculations of the energy band structure of SnSe were carried out by the pseudopotential method in [14,151. The obtained value of the indirect gap -2.1 eV is approximately twice higher than the experimental one (0.9 eV [2, 31).…”

Section: Discussionmentioning

confidence: 99%

Electroreflectance and Thermoreflectance Spectra of SnSe Crystals

Valiukonis

Gashimzade

Guseinova

et al. 1984

The electroreflectance and thermoreflectance spectra of SnSe crystals are investigated in polarized light with E 11 u and E 11 b. The direct energy gaps are 1.05 and 1.24 eV for light polarizations E I I b and E I I a, respectively. The polarization anisotropy of modulation spectra of SnSe is strong near the gap and becomes weak at higher energies. The structures of investigated spectra in the vicinity of the forbidden energy gap are interpreted by direct optical transitions on the high symmetry line A-I?-V in the calculated energy band structure.