Güler E., Uğur Ş., Güler M., Uğur G.
ANNALEN DER PHYSIK (LEIPZIG), cilt.538, sa.7, ss.1-12, 2026 (SCI-Expanded, Scopus)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
538
Sayı:
7
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Basım Tarihi:
2026
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Doi Numarası:
10.1002/andp.70259
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Dergi Adı:
ANNALEN DER PHYSIK (LEIPZIG)
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Derginin Tarandığı İndeksler:
Applied Science & Technology Source, Academic Search Ultimate (EBSCO), Scopus, Materials Science & Engineering Collection (ProQuest), Technology Collection (ProQuest), Aerospace Database, Science Citation Index Expanded (SCI-EXPANDED), Compendex, INSPEC, zbMATH
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Sayfa Sayıları:
ss.1-12
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Ankara Hacı Bayram Veli Üniversitesi Adresli:
Evet
Özet
ABSTRACT
Two‐dimensional (2D) In
2
S
2
, In
2
Se
2
, and In
2
Te
2
monolayers were systematically investigated using density functional theory (DFT) calculations. Electronic structure calculations reveal indirect band gaps of 2.55 eV for In
2
S
2
, 2.44 eV for In
2
Se
2
, and 2.22 eV for In
2
Te
2
, demonstrating a systematic narrowing along the S→Se→Te sequence. Further, work functions decrease correspondingly from 6.334 to 6.047 to 5.575 eV across the S→Se→Te series. Optical analysis up to 15 eV reveals that In
2
Te
2
exhibits maximum reflectivity exceeding 0.35 at ∼4 eV, the highest refractive index (n ≈ 2.5), and the strongest plasmon‐loss peak at ∼9.5 eV, whereas In
2
S
2
achieves a maximum absorption peak at 6 eV with minimal optical losses. Elastic stiffness constants were found to decrease across the S→Se→Te order with corresponding Young's moduli of 61.90, 54.84, and 47.24 N/m, respectively. Pugh ratios of 1.61, 1.76, and 1.88, combined with Poisson's ratios of 0.23, 0.27, and 0.30, signify the brittle character of In
2
S
2,
while In
2
Se
2
and In
2
Te
2
exhibit ductile behavior. In
2
S
2
, In
2
Se
2
, and In
2
Te
2
exhibit in‐plane mechanical isotropy arising from their hexagonal symmetry, confirming their suitability for flexible electronics and omnidirectional sensing applications.