Search Results - "Singh, David J."

Structure and optical properties of high light output halide scintillators by Singh, David J.

“…Structural and optical properties of several high light output halide scintillators and closely related materials are presented based on first-principles…”
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Light scattering and surface plasmons on small spherical particles by Fan, Xiaofeng, Zheng, Weitao, Singh, David J

“…Light scattering by small particles has a long and interesting history in physics. Nonetheless, it continues to surprise with new insights and applications…”
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Complex Band Structures and Lattice Dynamics of Bi2Te3‐Based Compounds and Solid Solutions by Fang, Teng, Li, Xin, Hu, Chaoliang, Zhang, Qi, Yang, Jiong, Zhang, Wenqing, Zhao, Xinbing, Singh, David J., Zhu, Tiejun

“…Bi2Te3‐based compounds and derivatives are milestone materials in the fields of thermoelectrics (TEs) and topological insulators (TIs). They have highly…”
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Thermoelectrics by Computational Design: Progress and Opportunities by Kozinsky, Boris, Singh, David J

“…The performance of thermoelectric materials is determined by their electrical and thermal transport properties that are very sensitive to small modifications…”
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Electronic, transport, and optical properties of bulk and mono-layer PdSe2 by Sun, Jifeng, Shi, Hongliang, Siegrist, Theo, Singh, David J.

“…The electronic and optical properties of bulk and monolayer PdSe2 are investigated using first-principles calculations. Using the modified Becke-Johnson…”
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Second Harmonic Generation Susceptibilities from Symmetry Adapted Wannier Functions by Lei, Bing-Hua, Pan, Shilie, Yang, Zhihua, Cao, Chao, Singh, David J.

“…Elucidating the orbital level origin of second harmonic generation (SHG) in materials and identifying the local contributions is a long-standing challenge. We…”
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High three-dimensional thermoelectric performance from low-dimensional bands by Parker, David, Chen, Xin, Singh, David J

“…Reduced dimensionality has long been regarded as an important strategy for increasing thermoelectric performance, for example, in superlattices and other…”
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Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping by Liu, Zihang, Sun, Jifeng, Mao, Jun, Zhu, Hangtian, Ren, Wuyang, Zhou, Jingchao, Wang, Zhiming, Singh, David J., Sui, Jiehe, Chu, Ching-Wu, Ren, Zhifeng

“…Germanium telluride (GeTe)-based materials, which display intriguing functionalities, have been intensively studied from both fundamental and technological…”
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Room-temperature intrinsic ferromagnetism in epitaxial CrTe2 ultrathin films by Zhang, Xiaoqian, Lu, Qiangsheng, Liu, Wenqing, Niu, Wei, Sun, Jiabao, Cook, Jacob, Vaninger, Mitchel, Miceli, Paul F., Singh, David J., Lian, Shang-Wei, Chang, Tay-Rong, He, Xiaoqing, Du, Jun, He, Liang, Zhang, Rong, Bian, Guang, Xu, Yongbing

“…While the discovery of two-dimensional (2D) magnets opens the door for fundamental physics and next-generation spintronics, it is technically challenging to…”
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Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency by Zhu, Hangtian, He, Ran, Mao, Jun, Zhu, Qing, Li, Chunhua, Sun, Jifeng, Ren, Wuyang, Wang, Yumei, Liu, Zihang, Tang, Zhongjia, Sotnikov, Andrei, Wang, Zhiming, Broido, David, Singh, David J., Chen, Gang, Nielsch, Kornelius, Ren, Zhifeng

“…Thermoelectric materials are capable of converting waste heat into electricity. The dimensionless figure-of-merit (ZT), as the critical measure for the…”
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Importance of non-parabolic band effects in the thermoelectric properties of semiconductors by Chen, Xin, Parker, David, Singh, David J.

“…We present an analysis of the thermoelectric properties of of n -type GeTe and SnTe in relation to the lead chalcogenides PbTe and PbSe. We find that the…”
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Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg₃Sb₂-based materials by Mao, Jun, Shuai, Jing, Song, Shaowei, Wu, Yixuan, Dally, Rebecca, Zhou, Jiawei, Liu, Zihang, Sun, Jifeng, Zhang, Qinyong, dela Cruz, Clarina, Wilson, Stephen, Pei, Yanzhong, Singh, David J., Chen, Gang, Chu, Ching-Wu, Ren, Zhifeng

“…Achieving higher carrier mobility plays a pivotal role for obtaining potentially high thermoelectric performance. In principle, the carrier mobility is…”
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Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance by Zhu, Hangtian, Mao, Jun, Li, Yuwei, Sun, Jifeng, Wang, Yumei, Zhu, Qing, Li, Guannan, Song, Qichen, Zhou, Jiawei, Fu, Yuhao, He, Ran, Tong, Tian, Liu, Zihang, Ren, Wuyang, You, Li, Wang, Zhiming, Luo, Jun, Sotnikov, Andrei, Bao, Jiming, Nielsch, Kornelius, Chen, Gang, Singh, David J., Ren, Zhifeng

“…Discovery of thermoelectric materials has long been realized by the Edisonian trial and error approach. However, recent progress in theoretical calculations,…”
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Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers by Zhou, Jiawei, Zhu, Hangtian, Liu, Te-Huan, Song, Qichen, He, Ran, Mao, Jun, Liu, Zihang, Ren, Wuyang, Liao, Bolin, Singh, David J., Ren, Zhifeng, Chen, Gang

“…Modern society relies on high charge mobility for efficient energy production and fast information technologies. The power factor of a material—the combination…”
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Valence Band Splitting on Multilayer MoS2: Mixing of Spin–Orbit Coupling and Interlayer Coupling by Fan, Xiaofeng, Singh, David J, Zheng, Weitao

“…Understanding the origin of valence band splitting is important because it governs the unique spin and valley physics in few-layer MoS2. We explore the effects…”
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Bandgap Control via Structural and Chemical Tuning of Transition Metal Perovskite Chalcogenides by Niu, Shanyuan, Huyan, Huaixun, Liu, Yang, Yeung, Matthew, Ye, Kevin, Blankemeier, Louis, Orvis, Thomas, Sarkar, Debarghya, Singh, David J., Kapadia, Rehan, Ravichandran, Jayakanth

“…Transition metal perovskite chalcogenides are a new class of versatile semiconductors with high absorption coefficient and luminescence efficiency…”
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High-Throughput Screening for Advanced Thermoelectric Materials: Diamond-Like ABX2 Compounds by Li, Ruoxi, Li, Xin, Xi, Lili, Yang, Jiong, Singh, David J, Zhang, Wenqing

“…High-throughput (HTP) calculations are a highly promising direction for the discovery of novel functional materials. Here we use an HTP framework to…”
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Electronic structure, disconnected Fermi surfaces and antiferromagnetism in the layered pnictide superconductor NaxBa1−xTi2Sb2O by Singh, David J

“…We report electronic structure calculations for BaTi2Sb2O and discuss the results in relation to the observed superconductivity of this material when hole…”
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Strain effects on the band gap and optical properties of perovskite SrSnO3 and BaSnO3 by Singh, David J., Xu, Qiang, Ong, Khuong P.

“…We report calculations of the band gaps and optical spectra of perovskite BaSnO3 and SrSnO3 as a function of strain. We find that the behavior of these…”
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Giant optical anisotropy in a quasi-one-dimensional crystal by Niu, Shanyuan, Joe, Graham, Zhao, Huan, Zhou, Yucheng, Orvis, Thomas, Huyan, Huaixun, Salman, Jad, Mahalingam, Krishnamurthy, Urwin, Brittany, Wu, Jiangbin, Liu, Yang, Tiwald, Thomas E., Cronin, Stephen B., Howe, Brandon M., Mecklenburg, Matthew, Haiges, Ralf, Singh, David J., Wang, Han, Kats, Mikhail A., Ravichandran, Jayakanth

“…Optical anisotropy is a fundamental building block for linear and nonlinear optical components such as polarizers, wave plates, and phase-matching elements 1 –…”
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