Electronic structure and effective masses of TlInSe2 under pressure

• Autorzy: Orudzhev G.S. , Ismayilova N .A. , Jafarova V. N.

Identyfikatory

DOI

10.1515/msp-2018-0007

• Języki publikacji: EN

Abstrakty

EN

We have studied the band structure and the band gap closure of TlInSe₂ under pressure in the range of 0 GPa to 21 GPa, by employing the first-principles method based on the density functional theory. We discuss the possible metallic transition in the tetragonal phase of TlInSe₂ crystal. Our calculation results show that the value of the pressure at the crossover from the direct to the indirect gap is found to be 8 GPa. The “semiconductor-metal” transition is determined to occur at 14 GPa. The study of the pressure effect on the effective masses for semiconductor state shows that with increasing pressure, the effective masses of holes and electrons decrease and the anisotropy of effective masses of holes is weakening.

Słowa kluczowe

EN

density functional theory; metallic transition; general gradient approximation; band structure

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2017
• Tom: Vol. 35, No. 4
• Strony: 857--860
• Opis fizyczny: Bibliogr. 17 poz., rys., tab.

Twórcy

autor

Orudzhev G.S.

• Institute of Physics ANAS, Baku, AZ-1143, Azerbaijan
• Azerbaijan Technical University, Baku, AZ-1073, Azerbaijan

autor

Ismayilova N .A.

• Institute of Physics ANAS, Baku, AZ-1143, Azerbaijan

autor

Jafarova V. N.

• Institute of Physics ANAS, Baku, AZ-1143, Azerbaijan

Bibliografia

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Uwagi

PL

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2018).