Hydrogen effect on electronic and magnetic properties of Cd1−xMnxTe: Ab initio study

Larabi, A.; Merad, G.; Abdelaoui, I.; Sari, A.

doi:10.1016/j.ssc.2016.04.011

Cited by 5 publications

(1 citation statement)

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“…The diversity and complexity of hydrogen states, inside the lattice and in traps, has made their characterization impossible by experimental methods alone; the complementary role of theory is proved to be essential [12]. The earlier calculations suggested that interstitial hydrogen prefers to locate in the bond center site (BC) in CdTe and ZnO lattices [13][14][15][16]. It could locate in the tetrahedral site in other oxides such SnO 2 and TiO 2 [17,18].…”

Section: Introductionmentioning

confidence: 99%

First principle investigation of hydrogen behavior in M doped Cu2O (M = Na, Li and Ti)

Larabi¹,

Mahmoudi²,

Mebarki³

et al. 2019

Condens. Matter Phys.

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We study the hydrogen effect on the electronic, magnetic and optical properties of Cu 2 O in presence of different dopants (Na, Li and Ti). The electronic properties calculations show that hydrogen changes the conductivity of Cu 2 O from p to n-type. The results show that interstitial hydrogen atom prefers to locate in the tetrahedral site in Cu 2 O system and it decreases the band gap value of the later. The Na or Li doping Cu 2 O preserves the p-type conductivity of Cu 2 O, while hydrogen is the source of n-type conductivity in Na or Li doped Cu 2 O systems. Ti doping increases the band gap value of Cu 2 O and makes it an n-type semiconductor. Hydrogen increases the optical transmittance of M doped Cu 2 O.

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