相关论文: Significant Second-Harmonic Generation and Bulk Ph…
Few-layer selenium and tellurium films have been recently prepared, and they provide a new platform to explore novel properties of two-dimensional (2D) elemental materials. In this work, we have performed a systematic first-principles study…
Trigonal selenium and tellurium crystalize in helical chain-like structures and thus possess interesting properties such as current-induced spin polarization, gyrotropic effects and nonlinear optical responses. By performing systematic ab…
Recently, atomically thin PdSe$_2$ semiconductors with rare pentagonal Se-Pd-Se monolayers were synthesized and were also found to possess superior properties such as ultrahigh air stability, and high carrier mobility, thus offering a new…
Tellurium (Te) is an elemental semiconductor with a simple chiral crystal structure. Te in a two-dimensional (2D) form synthesized by solution-based method shows excellent electrical, optical, and thermal properties. In this work, the…
Two-dimensional (2D) elemental semiconductors have great potential for device applications, but their performance is limited by the lack of efficient doping methods. Here, combining molecular beam epitaxy, scanning tunneling…
Tellurium (Te) is an intrinsically p-type doped narrow bandgap semiconductor with excellent electrical conductivity and low thermal conductivity. Bulk trigonal Te has been theoretically predicted and experimentally demonstrated to be an…
Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method…
In 2016, bulk tellurium was experimentally observed as a remarkable thermoelectric material. Recently, two-dimensional (2D) tellurium, called tellurene, has been synthesized and has exhibited unexpected electronic properties compared with…
Bulk tellurium (Te) is composed of one-dimensional (1D) helical chains which have been considered to be coupled by van der Waals (vdW) interactions. However, based on first-principles density-functional theory calculations, we here propose…
The second-order nonlinear optical (NLO) processes, such as the photogalvanic effect and second-order harmonic generation (SHG), play crucial roles in probing and controlling light-matter interactions for energy and device applications. To…
Selenium has attracted intensive attention as a promising material candidate for future optoelectronic applications. However, selenium has a strong tendency to grow into nanowire forms due to its anisotropic atomic structure, which has…
In$_2$Se$_3$ in the three-dimensional (3D) hexagonal crystal structure with space group $P6_1$ ($\gamma$-In$_2$Se$_3$) has a direct band gap of $\sim$1.8 eV and high absorption coefficient, making it a promising semiconductor material for…
We have computed second and third nonlinear optical susceptibilities of two crystalline bulk tellurium oxide polymorphs: $\alpha$-TeO$_{2}$ (the most stable crystalline bulk phase) and $\gamma$-TeO$_{2}$ (the crystalline phase that…
We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and topological properties of tellurium across its dimensional hierarchy, including bulk trigonal Te-I, two-dimensional tellurene…
Chirality arises from the asymmetry of matters, where two counterparts are the mirror image of each other. The interaction between circular-polarization light and quantum materials is enhanced in chiral space groups due to the structural…
Tellurium (Te) is a narrow bandgap semiconductor with a unique chiral crystal structure. The topological nature of electrons in the Te conduction band can be studied by realizing n-type doping using atomic layer deposition (ALD) technique…
In this work, the polar tetrahedron [PN$_2$O$_2$] was revealed as a new deep-ultraviolet (deep-UV) nonlinear optically active unit. Accordingly, a thermodynamically stable compound (PNO) consisting of the polar [PN$_2$O$_2$] units was…
Second harmonic (SH) radiation can only be generated in non-centrosymmetric bulk crystals under the electric-dipole approximation. Nonlinear thin films made from bulk crystals are technologically challenging because of complex and high…
Monolayer transition-metal dichalcogenides (TMDCs) present high second-order optical nonlinearity, which is extremely desirable for, e.g., frequency conversion in nonlinear photonic devices. On the other hand, the atomic thickness of 2D…
Monolayer transition metal dichalcogenides (TMDs) exhibit high nonlinear optical (NLO) susceptibilities. Experiments on MoS$_2$ have indeed revealed very large second-order ($\chi^{(2)}$) and third-order ($\chi^{(3)}$) optical…