Electronic structure of the chainlike compound TlSe

Abstract

An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chainlike crystal geometry. The energy bands and effective masses along high symmetry directions, the density of states and valence charge density distributions cut through various planes are presented. The results have been discussed in terms of previously existing experimental and theoretical data, and comparisons with similar compounds have been made.

Structural, Vibrational, and Electronic Properties of 1D-TlInTe2 under High Pressure: A Combined Experimental and Theoretical Study

“…7,8,12−14 The Zintl-type 1D-chain material, TlInTe 2 , crystallizes in the body centred tetragonal structure having space group, I4/mcm (B37) with Z = 4, which is iso-structural to the TlSe-family of compounds. 15,16 The unit cell of TlInTe 2 has two sublattices, namely, In 3+ anti-prismatic (Thomson cube) cage. 12 The Te 2− anions in the anionic chains are interconnected via covalent bonding (intrachain bonding), whereas the anionic and cationic chains are connected to each other by weak ionic bonding (interchain bonding).…”

“…The Zintl-type 1D-chain material, TlInTe 2 , crystallizes in the body centred tetragonal structure having space group, I 4/ mcm (B37) with Z = 4, which is iso-structural to the TlSe-family of compounds. , The unit cell of TlInTe 2 has two sublattices, namely, In 3+ Te 4 2– tetrahedral and Tl 1+ Te 8 2– polyhedral (with eight vertices) sublattices. In the In 3+ Te 4 2– sublattice, four Te 2– anions are tetrahedrally bonded to an In 3+ cation, with the corner sharing of Te atoms along the c -axis forming an anionic chain.…”

Origin of superconductivity and giant phonon softening in TlInTe$_2$ under pressure

“…The Zintl type chain material, TlInTe 2 crystallizes in tetragonal structure having space group, I/4mcm (B37) with Z = 4, which is iso-structural to its parent TlSe compound. [8] The unit cell of TlInTe 2 has two sublattices, viz. In 3+ Te 2− 4 tetrahedral and Tl 1+ Te 2− 8 polyhedral (with eight vertices) sublattices.…”

TlSe İnce Filminin Dalgalı İletkenliği

“…TlSe, γ -ışın dedektörleri ve basınca hassas dedektörlerde, yakın ve uzak kızılötesi sensör olarak optoelektronik aletlerde kullanılmaktadır [1][2][3][4][5][6][7]. Literatürde geçmişten günümüze TlSe kristalinin yapısal, elektrik, optik, manyetik, elektrodinamik, yapısal özellikleri araştırılmıştır [8][9][10][11][12]. Ancak, ince film halindeki TlSe'nin özellikleri üzerine çalışmalar nadirdir [4,13].…”