Screening criteria for high-performance p-type transparent conducting materials and their applications

Theoretical insights into the defect performance of the wide bandgap semiconductor BaS

“…[27][28][29] The calculated effective masses are 0.33 m 0 for electrons and 0.95 m 0 for holes (m 0 is the mass of a free electron), which are in line with the reported results. 30,31 We confirm that the intrinsic defect sulfur vacancy (V S ) of BaS is responsible for its unintentional n-type conductivity, which is similar to those of In 2 O 3 and SnO 2 . 32 Based on the doping limit rule, 33 we select group IA atoms (Li, Na, K, and Rb) as dopants and consider two doped configurations: (i) dopant atoms are substituted at Ba sites forming p-type defects (A Ba , A = Li, Na, K, and Rb) and (ii) dopant atoms occupy the interstitial sites forming n-type impurities (A int , A = Li, Na, K, and Rb).…”

“…[47][48][49][50][51] Most of these compounds are wide bandgap semiconductors and possess excellent optical transparency in the visible spectrum. 30 Recently, some researchers have proposed that parts of them are promising candidates for optoelectronic applications. [52][53][54][55] To the best of our knowledge, few works focus on the conducting properties of barium sulfide (BaS), thus severely hindering its applications.…”

Structural, Electronic, and Vibrational Properties of N2O4 under Pressure from First‐Principles Study

“…The first‐principles calculations were carried out within the norm‐conserving pseudopotential method and Cambridge Serial Total Energy Package (CASTEP) code, [ 18 ] where the density functional theory (DFT) [ 19 ] was employed for the calculations. The exchange correlation potential used the generalized gradient approximation (GGA) [ 20 ] with the Perdew–Burke–Ernzerhof (PBE) functional.…”

Room-Temperature Fabrication of p-Type SnO Semiconductors Using Ion-Beam-Assisted Deposition

“…The development of oxide semiconductors has attracted significant interest due to their compatibility with low-temperature processes to support many emerging applications, including transparent and flexible displays and transparent complementary metal-oxide semiconductor (CMOS) circuits. , For instance, transparent amorphous InGaZnO with mobility greater than 10 cm 2 V –1 s –1 has been successfully fabricated at room temperature and has proven to be useful in driving thin-film transistors in flat panels and flexible displays. , Unfortunately, p-type oxide semiconductors with mobility comparable to n-type semiconductors are difficult to achieve because the valence band (VB) as a hole conduction pathway in these materials inherently consists of highly localized and anisotropic O 2p orbitals . It is their poor p-type properties that hinder the application of oxide semiconductors in low-power and high-performance transparent CMOS logic circuits, where a balanced performance across the p- and n-type devices is essential. , Recently, several oxide materials have been proposed to produce high-performance transparent p-type semiconductors, including copper-based ternary oxides (CuMO 2 , M = Al, Ga, In, etc.…”

“…The development of oxide semiconductors has attracted significant interest due to their compatibility with lowtemperature processes to support many emerging applications, including transparent and flexible displays and transparent complementary metal-oxide semiconductor (CMOS) circuits. 1,2 For instance, transparent amorphous InGaZnO with mobility greater than 10 cm 2 V −1 s −1 has been successfully fabricated at room temperature and has proven to be useful in driving thin-film transistors in flat panels and flexible displays. 1,3 Unfortunately, p-type oxide semiconductors with mobility comparable to n-type semiconductors are difficult to achieve because the valence band (VB) as a hole conduction pathway in these materials inherently consists of highly localized and anisotropic O 2p orbitals.…”