Correction: Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study

Parveen, Atahar; Rao, E. Narsimha; Adivaiah, B.; Anees, P.; Vaitheeswaran, G.

doi:10.1039/c8cp91871f

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“…15,16 Although band inversion cannot rigorously define any topological phase, it is very suggestive in identifying compounds for new topological states and understanding the topological nature of various topological materials. 17 The SOC may induce a band inversion, changing the bandgap in TIs. 1 It should be noted that band inversion occurs at points in the BZ called time-reversal invariant momentum (TRIM) points.…”

Section: Introductionmentioning

confidence: 99%

New insights into band inversion and topological phase of TiNI monolayer

Yalameha

Nourbakhsh

Bahramy

et al. 2023

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

New insights into band inversion and topological phase of TiNI monolayer

Yalameha

Nourbakhsh

Bahramy

et al. 2023

Phys. Chem. Chem. Phys.

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Exploring Exemplary Optoelectronic and Charge Transport Properties of KCuX(X=Se,Te)

Parveen

Vaitheeswaran

2018

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We report the electronic structure, optical and charge transport properties of the unexplored ternary Zintl phases KCuX(X=Se,Te) from the first principles calculations employing the full-potential linearized augmented plane-wave (FLAPW) method with the Tran Blaha modified Becke-Johnson (TBmBJ) potential. It is demonstrated that the materials are direct band gap (1.13, 1.38 eV) semiconductors with covalent bonding between Cu and (Se/Te). The calculated low effective mass and high carrier mobility (over 105 cm2/V.s) accentuate that KCuX have good carrier transport and the materials may have possible applications in solar cell absorbers and nanoelectronic devices. Absorption spectra indicates that the ternary crystals are UV-A light absorbers and could be useful in photovoltaic and photodetector applications. A study on the effect of pressure (till 5 GPa) is carried out in order to further explore the materials for their electronic band gaps and charge transport properties as they are proposed to be useful in future contemporary electronic devices. It is observed that pressure enhances the intrinsic carrier mobility and thermal stability of KCuX, indicating that the materials can withstand robust external conditions.

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Correction: Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study

Abstract: Correction for ‘Topological behaviour of ternary non-symmorphic crystals KZnX (X = P, As, Sb) under pressure and strain: a first principles study’ by Atahar Parveen et al., Phys. Chem. Chem. Phys., 2018, 20, 5084–5102.

Cited by 2 publications

References 1 publication

New insights into band inversion and topological phase of TiNI monolayer

New insights into band inversion and topological phase of TiNI monolayer

Exploring Exemplary Optoelectronic and Charge Transport Properties of KCuX(X=Se,Te)

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